Geometry & MOs

Info

ID:	302621
PubChem CID:	124385315
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-126.58
Dipole, Da:	4.92
IP(EA), eV:	-9.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(3-methoxyphenyl)-4-oxo-2-(propanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CCN[C@](C)(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NO

DOS

IR

Vibrations