Geometry & MOs

Info

ID:	228301
PubChem CID:	87563863
Reduced:	O3C20H34 (1)
Stoich.:	A3B20C34 (1)
Weight, g/mol:	322.250795
ΔH_f, kcal/mol:	-122.43
Dipole, Da:	5.31
IP(EA), eV:	-10.06(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3R)-3-ethyloxiran-2-yl]hexadec-11-ynoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](O1)CCCCC#CCCCCCCCCCC(=O)O

DOS

IR

Vibrations