Geometry & MOs

Info

ID:	43167
PubChem CID:	10318989
Reduced:	N3O6C20H25 (1)
Stoich.:	A3B6C20D25 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-211.53
Dipole, Da:	3.25
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-(2-amino-5-cyclopentyloxyphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(=O)O)C(=O)C1=CC2=CC=CC=C2N1

DOS

IR

Vibrations