Geometry & MOs

Info

ID:	8124
PubChem CID:	75045
Reduced:	NOSH5C8 (1)
Stoich.:	ABCD5E8 (1)
Weight, g/mol:	163.009185
ΔH_f, kcal/mol:	36.31
Dipole, Da:	2.32
IP(EA), eV:	-9.21(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isothiocyanatobenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=O)N=C=S

DOS

IR

Vibrations