Geometry & MOs

Info

ID:	404185
PubChem CID:	135065370
Reduced:	ClNO5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-211.62
Dipole, Da:	3.55
IP(EA), eV:	-9.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-2-acetyloxy-3-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations