Geometry & MOs

Info

ID:	121390
PubChem CID:	50766181
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	492.184269
ΔH_f, kcal/mol:	-168.93
Dipole, Da:	1.28
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)NS(=O)(=O)C)C(=O)O

DOS

IR

Vibrations