Geometry & MOs

Info

ID:	187905
PubChem CID:	77641589
Reduced:	ClNOC24H26 (1)
Stoich.:	ABCD24E26 (1)
Weight, g/mol:	476.313789
ΔH_f, kcal/mol:	5.49
Dipole, Da:	1.91
IP(EA), eV:	-9.02(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroxypropyl)-12-hydroxy-19-oxo-19-phenylnonadec-9-enoic acid

Drug info:

PubChemData

Smile

CC(C(C(C1=CC=CC=C1)Cl)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations