Geometry & MOs

Info

ID:	144670
PubChem CID:	53395845
Reduced:	ClO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	328.071366
ΔH_f, kcal/mol:	-113.46
Dipole, Da:	5.0
IP(EA), eV:	-9.4(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5-chloro-2,4-diethoxyphenyl)-4-hydroxy-2-oxobut-3-enoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=CC(=O)Cl

DOS

IR

Vibrations