Geometry & MOs

Info

ID:	61536
PubChem CID:	26710297
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	464.117271
ΔH_f, kcal/mol:	-170.04
Dipole, Da:	5.18
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[4-chloro-3-[methyl(phenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC3=C(C=C2)S[C@@H](C(=O)N3)C

DOS

IR

Vibrations