Geometry & MOs

Info

ID:	413440
PubChem CID:	135086389
Reduced:	ClNO5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-184.18
Dipole, Da:	5.45
IP(EA), eV:	-9.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-2-acetyloxy-3-(4-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC(=C(C(=O)OC)OC(=O)C)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations