Geometry & MOs

Info

ID:	124160
PubChem CID:	50873685
Reduced:	ClSN2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	241.95133
ΔH_f, kcal/mol:	42.78
Dipole, Da:	6.33
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-3-bromo-5-methylphenyl) thiocyanate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)Cl)SC#N

DOS

IR

Vibrations