Geometry & MOs

Info

ID:	302658
PubChem CID:	124391757
Reduced:	S2N3O7C20H25 (1)
Stoich.:	A2B3C7D20E25 (1)
Weight, g/mol:	483.113393
ΔH_f, kcal/mol:	-237.94
Dipole, Da:	13.08
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations