Geometry & MOs

Info

ID:	1172
PubChem CID:	3907
Reduced:	SN3O9C30H47 (1)
Stoich.:	AB3C9D30E47 (1)
Weight, g/mol:	625.303301
ΔH_f, kcal/mol:	-394.99
Dipole, Da:	6.32
IP(EA), eV:	-9.01(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

DOS

IR

Vibrations