Geometry & MOs

Info

ID:	380769
PubChem CID:	134971320
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	591.304347
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	5.8
IP(EA), eV:	-7.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(E,2R)-1-[[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1,11-dioxooctadec-3-en-2-yl]-2-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

C[C@H](C[C@H](C1=C([CH-]C=C1)OC(=O)C)OC(=O)C)C2=C[CH-]C=C2

DOS

IR

Vibrations