Geometry & MOs

Info

ID:	43224
PubChem CID:	10319876
Reduced:	O3C28H34 (1)
Stoich.:	A3B28C34 (1)
Weight, g/mol:	418.119654
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	3.99
IP(EA), eV:	-8.3(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C2C(=C(C=C2C(=O)OC)CCCCCCOCC3=CC=CC=C3)C=C1

DOS

IR

Vibrations