Geometry & MOs

Info

ID:	302344
PubChem CID:	124361347
Reduced:	SN5O5C19H23 (1)
Stoich.:	AB5C5D19E23 (1)
Weight, g/mol:	401.147452
ΔH_f, kcal/mol:	-144.42
Dipole, Da:	5.85
IP(EA), eV:	-9.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1([C@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=CC=C3)NN4CCNC4=O)C(=O)O)C

DOS

IR

Vibrations