Geometry & MOs

Info

ID:	298379
PubChem CID:	117648728
Reduced:	FO2S2H21C29 (1)
Stoich.:	AB2C2D21E29 (1)
Weight, g/mol:	404.090472
ΔH_f, kcal/mol:	-6.01
Dipole, Da:	2.04
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-methyl-4-(4-prop-2-enoylsulfanylnaphthalen-1-yl)phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)C2=CC=CC3=C2C=CC=C3C4=CC(=C(C=C4)SC(=O)C=C)F

DOS

IR

Vibrations