Geometry & MOs

Info

ID:	12412
PubChem CID:	137175
Reduced:	NSH15C20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	301.092521
ΔH_f, kcal/mol:	118.07
Dipole, Da:	5.2
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[isothiocyanato(diphenyl)methyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=C=S

DOS

IR

Vibrations