Geometry & MOs

Info

ID:	435729
PubChem CID:	135192259
Reduced:	NOC3H6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	450.122441
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	1.46
IP(EA), eV:	-9.02(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[4-(4-ethanimidoylphenyl)phenyl]sulfanylmethylsulfanyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

C=C(C1CN(CCO1)N)O

DOS

IR

Vibrations