Geometry & MOs

Info

ID:	153886
PubChem CID:	56313221
Reduced:	S2N3O5C22H29 (1)
Stoich.:	A2B3C5D22E29 (1)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	-189.64
Dipole, Da:	6.9
IP(EA), eV:	-8.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-[3-[(4-methylphenyl)sulfamoyl]thiophene-2-carbonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations