Geometry & MOs

Info

ID:	27498
PubChem CID:	821662
Reduced:	SN2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	337.007865
ΔH_f, kcal/mol:	14.54
Dipole, Da:	1.74
IP(EA), eV:	-8.25(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(1,3-dithiolan-2-ylidene)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC2=NCCCS2)C)C

DOS

IR

Vibrations