Geometry & MOs

Info

ID:	381539
PubChem CID:	134972307
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-156.11
Dipole, Da:	4.22
IP(EA), eV:	-9.54(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethoxycarbonyl-2-methylpent-4-enoic acid

Drug info:

PubChemData

Smile

CC1(O[C@H](C[C@@H](O1)/C=C/CO)COCC2=CC=CC=C2)C

DOS

IR

Vibrations