Geometry & MOs

Info

ID:	404357
PubChem CID:	135066025
Reduced:	NOS3C25H27 (1)
Stoich.:	ABC3D25E27 (1)
Weight, g/mol:	254.076536
ΔH_f, kcal/mol:	27.19
Dipole, Da:	5.87
IP(EA), eV:	-8.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 3,3-diphenylprop-2-enethioate

Drug info:

PubChemData

Smile

CCCCSC(=O)C(C1=CC=C(C=C1)C)C(=C2SCCCS2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations