Geometry & MOs

Info

ID:	153495
PubChem CID:	56312726
Reduced:	S2N3O5C22H29 (1)
Stoich.:	A2B3C5D22E29 (1)
Weight, g/mol:	498.139548
ΔH_f, kcal/mol:	-172.28
Dipole, Da:	8.33
IP(EA), eV:	-8.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations