Geometry & MOs

Info

ID:	424590
PubChem CID:	135123250
Reduced:	O4N5C29H39 (1)
Stoich.:	A4B5C29D39 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	4.85
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[(2R)-2-ethyl-7-methyl-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-4-methylphenyl]-2,2-dimethyl-3-[(1-methyltriazol-4-yl)methoxy]propanoate

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

CC[C@@H]1CN(CC2=C(O1)C=CC(=N2)C)CC3=C(C=CC(=C3)[C@H](C(C)(C)C(=O)OC)OCC4=CN(N=N4)C)C

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

CC[C@@H]1CN(CC2=C(O1)C=CC(=N2)C)CC3=C(C=CC(=C3)[C@H](C(C)(C)C(=O)OC)OCC4=CN(N=N4)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):