Geometry & MOs

Info

ID:	401903
PubChem CID:	135053290
Reduced:	ClNO3S3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	315.075157
ΔH_f, kcal/mol:	-45.25
Dipole, Da:	2.63
IP(EA), eV:	-7.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5,5-bis(methylsulfanyl)-3-naphthalen-2-ylpent-4-enenitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)OS1=C(C=C(C2=CC=CC=C21)Cl)/C=C\3/NC4=CC=CC=C4S3

DOS

IR

Vibrations