Geometry & MOs

Info

ID:	209559
PubChem CID:	80687817
Reduced:	ClSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	296.989424
ΔH_f, kcal/mol:	-43.36
Dipole, Da:	9.67
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1)C2=NC(=C(S2)C(=O)O)Cl

DOS

IR

Vibrations