Geometry & MOs

Info

ID:	139652
PubChem CID:	52574835
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	226.113984
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	4.84
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(C)C(=O)C1=CC=C(C=C1)CSC

DOS

IR

Vibrations