Geometry & MOs

Info

ID:	440868
PubChem CID:	135231922
Reduced:	SN2O3C28H52 (1)
Stoich.:	AB2C3D28E52 (1)
Weight, g/mol:	441.218509
ΔH_f, kcal/mol:	-218.84
Dipole, Da:	5.03
IP(EA), eV:	-9.12(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(carboxymethoxy)acetyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSCC(C(=O)O)NC(=O)N1CCCC1)/C

DOS

IR

Vibrations