Geometry & MOs

Info

ID:	42424
PubChem CID:	8149540
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	402.172562
ΔH_f, kcal/mol:	-39.94
Dipole, Da:	5.48
IP(EA), eV:	-8.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-piperidin-1-ylanilino)-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)N4CCCCC4)C

DOS

IR

Vibrations