Geometry & MOs

Info

ID:	121964
PubChem CID:	50788299
Reduced:	SO4N5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	435.113188
ΔH_f, kcal/mol:	-69.38
Dipole, Da:	2.93
IP(EA), eV:	-8.52(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-5-[3-(propylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C(=O)N3CCCC(C3)C(=O)NC4CC4

DOS

IR

Vibrations