Geometry & MOs

Info

ID:	373130
PubChem CID:	131310445
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	239.028396
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	7.03
IP(EA), eV:	-10.28(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloropyridin-4-yl)-4-methyl-1,3-thiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)C#N)S(=O)(=O)C

DOS

IR

Vibrations