Geometry & MOs

Info

ID:	152592
PubChem CID:	56311563
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	460.178041
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	6.46
IP(EA), eV:	-8.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[3-oxo-3-(3-sulfamoylanilino)propyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCC3=C(C2)C=CS3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations