Geometry & MOs

Info

ID:	23738
PubChem CID:	605740
Reduced:	ON2S2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	290.054755
ΔH_f, kcal/mol:	59.28
Dipole, Da:	3.56
IP(EA), eV:	-9.64(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C=CSC(=NC#N)SC

DOS

IR

Vibrations