Geometry & MOs

Info

ID:	172306
PubChem CID:	75494080
Reduced:	ClOSN2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	291.024852
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	3.57
IP(EA), eV:	-8.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiophen-2-yl-N-(2H-triazol-4-ylmethyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NC2=CC3=C(CCNC3)C=C2.Cl

DOS

IR

Vibrations