Geometry & MOs

Info

ID:	233629
PubChem CID:	91146456
Reduced:	SO4N5C32H33 (1)
Stoich.:	AB4C5D32E33 (1)
Weight, g/mol:	551.183855
ΔH_f, kcal/mol:	-69.4
Dipole, Da:	4.1
IP(EA), eV:	-8.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[ethyl-(2-oxopiperazin-1-yl)amino]-2-oxoethyl]-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC=CC1=CN=C(C2=C1SC=C2C3=CC(=C(C=C3)NC(=O)C4=CC5=CC=CC=C5N4C)OC)N

DOS

IR

Vibrations