Geometry & MOs

Info

ID:	53284
PubChem CID:	14710084
Reduced:	ClO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	220.050237
ΔH_f, kcal/mol:	-120.74
Dipole, Da:	2.98
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2S)-2-chloropropanoyl]oxy-2-methylpent-4-enoic acid

Drug info:

PubChemData

Smile

CC(C(=O)OC(C/C=C\C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O)Cl

DOS

IR

Vibrations