Geometry & MOs

Info

ID:	152506
PubChem CID:	56311449
Reduced:	SN3O5C24H35 (1)
Stoich.:	AB3C5D24E35 (1)
Weight, g/mol:	474.193691
ΔH_f, kcal/mol:	-207.35
Dipole, Da:	8.82
IP(EA), eV:	-8.61(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations