Geometry & MOs

Info

ID:	169983
PubChem CID:	75176504
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	409.153875
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	10.42
IP(EA), eV:	-9.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyanophenyl)-3-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)N[C@@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

DOS

IR

Vibrations