Geometry & MOs

Info

ID:	68628
PubChem CID:	46508795
Reduced:	S2N4O5C20H22 (1)
Stoich.:	A2B4C5D20E22 (1)
Weight, g/mol:	472.168145
ΔH_f, kcal/mol:	-89.93
Dipole, Da:	4.87
IP(EA), eV:	-8.36(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations