Geometry & MOs

Info

ID:	407347
PubChem CID:	135079894
Reduced:	SN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	245.081871
ΔH_f, kcal/mol:	-129.41
Dipole, Da:	4.97
IP(EA), eV:	-9.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,4E)-2-acetamido-8-chloroocta-2,4-dienoate

Drug info:

PubChemData

Smile

C=C(CC1(CCCCC1)CNS(=O)(=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations