Geometry & MOs

Info

ID:	237547
PubChem CID:	92719657
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	420.114378
ΔH_f, kcal/mol:	-118.3
Dipole, Da:	7.79
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-5-(benzenesulfonyl)-6-(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Drug info:

PubChemData

Smile

CC1(CC2=C([C@H](N(C3=CC=CC=C3N2)C(=O)NC[C@@H]4CCCO4)C5=CC=CO5)C(=O)C1)C

DOS

IR

Vibrations