Geometry & MOs

Info

ID:	142660
PubChem CID:	53072294
Reduced:	ClSO2N4C16H17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	-34.3
Dipole, Da:	8.71
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-5-(1-pentanoylpyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC1C2=NN=C(S2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations