Geometry & MOs

Info

ID:	339534
PubChem CID:	127261524
Reduced:	N3O6C17H23 (1)
Stoich.:	A3B6C17D23 (1)
Weight, g/mol:	430.213758
ΔH_f, kcal/mol:	-234.59
Dipole, Da:	2.24
IP(EA), eV:	-9.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E,9E)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxypentadeca-7,9-dienoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)/C=C/C1=CC=CO1

DOS

IR

Vibrations