Geometry & MOs

Info

ID:	310771
PubChem CID:	126587357
Reduced:	NOC22H39 (1)
Stoich.:	ABC22D39 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-76.1
Dipole, Da:	3.45
IP(EA), eV:	-9.22(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-1-(4-hydroxy-3,3-dimethyl-2-oxobutyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@@H](CC1(C)C)C)OC(=C)C(C#N)(C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations