Geometry & MOs

Info

ID:	12275
PubChem CID:	134006
Reduced:	OS2N3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	275.018704
ΔH_f, kcal/mol:	66.0
Dipole, Da:	7.79
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CN=C=S

DOS

IR

Vibrations