Geometry & MOs

Info

ID:	302657
PubChem CID:	124391754
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	483.113393
ΔH_f, kcal/mol:	-16.38
Dipole, Da:	4.73
IP(EA), eV:	-8.22(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N/NC(=O)CC2=CC=CC=C2[N+](=O)[O-])OCC3=CC=CC=C3

DOS

IR

Vibrations