Geometry & MOs

Info

ID:	400045
PubChem CID:	135044775
Reduced:	OC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	-88.2
Dipole, Da:	5.01
IP(EA), eV:	-10.14(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

imino-[(E)-4-methylpent-1-enyl]-oxo-phenyl-lambda6-sulfane

Drug info:

PubChemData

Smile

CCC1CC=CCC(=O)O1

DOS

IR

Vibrations