Geometry & MOs

Info

ID:	209074
PubChem CID:	80619314
Reduced:	ClSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	257.013809
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	1.18
IP(EA), eV:	-8.83(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC(=C1)NC(=O)C2=NN=C(S2)Cl

DOS

IR

Vibrations