Geometry & MOs

Info

ID:	391537
PubChem CID:	135006357
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-147.6
Dipole, Da:	2.26
IP(EA), eV:	-9.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-acetamido-4-(4-methylphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C[C@H](C(=O)O1)CC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations