Geometry & MOs

Info

ID:	391024
PubChem CID:	135002299
Reduced:	NOC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	5.47
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(R)-acetamido-(3-methoxyphenyl)methyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@]1([C@@H](N(C(=N1)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations