Geometry & MOs

Info

ID:	237548
PubChem CID:	92719721
Reduced:	SN2O4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	448.145678
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	3.42
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C([C@H](N(C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C5=CC=CO5)C(=O)C1

DOS

IR

Vibrations