Geometry & MOs

Info

ID:	300501
PubChem CID:	121360331
Reduced:	NO2S3C22H33 (1)
Stoich.:	AB2C3D22E33 (1)
Weight, g/mol:	200.032957
ΔH_f, kcal/mol:	-103.26
Dipole, Da:	4.92
IP(EA), eV:	-8.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z,8Z)-5,9-bis(sulfanyl)nona-2,4,8-trienal

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1C2=C(C3=C(S1(=O)=O)C=C(S3)C)SC(=C2)C

DOS

IR

Vibrations