Geometry & MOs

Info

ID:	125990
PubChem CID:	50947188
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	299.084081
ΔH_f, kcal/mol:	-129.28
Dipole, Da:	6.57
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-phenyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N)N(C)S(=O)(=O)C

DOS

IR

Vibrations