Geometry & MOs

Info

ID:	179178
PubChem CID:	76446400
Reduced:	SN3O6H27C30 (1)
Stoich.:	AB3C6D27E30 (1)
Weight, g/mol:	492.146741
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	4.13
IP(EA), eV:	-8.74(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[9-[2-[methyl(methylsulfonyl)amino]phenyl]-6-oxobenzo[b][1,4]benzodiazepin-2-yl]propanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C2=CC3=C(C=C2)C(=O)N=C4C=C(C=CC4=N3)C5=CC(=C(C(=C5)OC)OC)OC)S(=O)(=O)C

DOS

IR

Vibrations