Geometry & MOs

Info

ID:	204347
PubChem CID:	79952145
Reduced:	ClNSO2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	256.106791
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	3.31
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylthian-3-amine

Drug info:

PubChemData

Smile

CC1C(CCCS1)(C(=O)OC)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations