Geometry & MOs

Info

ID:	315925
PubChem CID:	126629452
Reduced:	O3N6C31H46 (1)
Stoich.:	A3B6C31D46 (1)
Weight, g/mol:	650.342798
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	2.58
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2S)-2-[[(E,2R)-4-(2-ethylquinolin-7-yl)-2-[(2R,4S)-5-oxo-4-propan-2-yl-1,3-oxazolidin-2-yl]but-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1=NC2=C(C=CC(=C2)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)CN3CCC[C@H](N3)C(=O)N)C=C1C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1=NC2=C(C=CC(=C2)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)CN3CCC[C@H](N3)C(=O)N)C=C1C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):