Geometry & MOs

Info

ID:	121389
PubChem CID:	50766180
Reduced:	SN4O5C24H32 (1)
Stoich.:	AB4C5D24E32 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-183.82
Dipole, Da:	5.63
IP(EA), eV:	-8.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methanesulfonamido)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CC(=O)NC(C)(C)C)C(=O)O

DOS

IR

Vibrations