Geometry & MOs

Info

ID:	413439
PubChem CID:	135086388
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	311.05605
ΔH_f, kcal/mol:	-174.51
Dipole, Da:	3.59
IP(EA), eV:	-9.31(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations