Geometry & MOs

Info

ID:	214751
PubChem CID:	85083584
Reduced:	ClN2S2O4F6H19C23 (1)
Stoich.:	AB2C2D4E6F19G23 (1)
Weight, g/mol:	599.147469
ΔH_f, kcal/mol:	-411.07
Dipole, Da:	5.45
IP(EA), eV:	-9.17(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9-(3-methoxy-4-nitrophenyl)-6-oxobenzo[b][1,4]benzodiazepin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(S3)Cl)C4=CC=C(C=C4)OC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations