Geometry & MOs

Info

ID:	391025
PubChem CID:	135002300
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-209.41
Dipole, Da:	1.54
IP(EA), eV:	-8.93(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@H](C1=CC(=CC=C1)OC)NC(=O)C)C(=O)C

DOS

IR

Vibrations