Geometry & MOs

Info

ID:	325835
PubChem CID:	126685210
Reduced:	ClN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-131.3
Dipole, Da:	2.89
IP(EA), eV:	-9.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[acetyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=C(C=C2)Cl)[C@@H](C(=O)N3[C@H](COC3=O)C4=CC=CC=C4)N

DOS

IR

Vibrations