Geometry & MOs

Info

ID:	169982
PubChem CID:	75176446
Reduced:	SO2N3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	8.65
Dipole, Da:	0.71
IP(EA), eV:	-8.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS/C(=N\N=C\C1=CC2=C(C=C1)OCO2)/N

DOS

IR

Vibrations