Geometry & MOs

Info

ID:	270061
PubChem CID:	103624610
Reduced:	FNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	237.093583
ΔH_f, kcal/mol:	-95.54
Dipole, Da:	5.15
IP(EA), eV:	-9.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations