Geometry & MOs

Info

ID:	425640
PubChem CID:	135127102
Reduced:	FO4N5C14H16 (1)
Stoich.:	AB4C5D14E16 (1)
Weight, g/mol:	597.446535
ΔH_f, kcal/mol:	-120.73
Dipole, Da:	1.97
IP(EA), eV:	-9.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-(methylamino)-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

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

C1=CC=C(C(=C1)CC(C(=O)O)NN[C@@H](CN2C=NC=N2)C(=O)O)F

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

C1=CC=C(C(=C1)CC(C(=O)O)NN[C@@H](CN2C=NC=N2)C(=O)O)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):