Geometry & MOs

Info

ID:	302341
PubChem CID:	124361333
Reduced:	NO7C22H25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-248.59
Dipole, Da:	4.01
IP(EA), eV:	-9.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-hydroxy-2-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)O)NC(=O)COC1=CC(=C(C=C1)C(=O)COC2=CC=CC=C2)O

DOS

IR

Vibrations