Geometry & MOs

Info

ID:	204375
PubChem CID:	79956556
Reduced:	ClSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	307.090997
ΔH_f, kcal/mol:	27.12
Dipole, Da:	6.57
IP(EA), eV:	-8.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-imidazol-1-ylphenyl)-2-methylthian-3-amine

Drug info:

PubChemData

Smile

CC1C(CCCS1)NC2=CC(=C(C=C2)Cl)C#N

DOS

IR

Vibrations