Geometry & MOs

Info

ID:	79814
PubChem CID:	49830562
Reduced:	ON5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	379.099063
ΔH_f, kcal/mol:	48.28
Dipole, Da:	5.95
IP(EA), eV:	-8.66(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CN(C=C2)C3=CC=C(C=C3)C4=NC5=C(C=CC=C5N4)C(=O)N

DOS

IR

Vibrations