Geometry & MOs

Info

ID:	414035
PubChem CID:	135086988
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	233.033292
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	5.04
IP(EA), eV:	-9.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithian-2-ylidenemethyl)benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations