Geometry & MOs

Info

ID:	407711
PubChem CID:	135080466
Reduced:	NSO2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	236.060407
ΔH_f, kcal/mol:	-41.96
Dipole, Da:	1.71
IP(EA), eV:	-9.51(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,4E)-3-chloro-4-methyl-5-phenylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

CC(C)(C(=O)/C=C/C1=NC=CS1)O

DOS

IR

Vibrations