Geometry & MOs

Info

ID:	122657
PubChem CID:	50816348
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	475.063651
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	4.51
IP(EA), eV:	-8.53(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-5-[1-[(4-chlorophenyl)carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCN(CC3)C(=O)NCC4CCCO4

DOS

IR

Vibrations