Geometry & MOs

Info

ID:	209114
PubChem CID:	80626428
Reduced:	NOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	318.122441
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	2.88
IP(EA), eV:	-8.24(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1-(thian-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(C1CCCS1)C2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations