Geometry & MOs

Info

ID:	43876
PubChem CID:	10321916
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	458.231791
ΔH_f, kcal/mol:	-101.3
Dipole, Da:	7.16
IP(EA), eV:	-8.07(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-cyclopent-2-en-1-ylpropanoylamino)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(C(CC2)NC(=O)N/C=C/C3=CC(=C(C=C3)O)OC)CC4=CC=CC=C4

DOS

IR

Vibrations