Geometry & MOs

Info

ID:	176962
PubChem CID:	76117613
Reduced:	N2O2C23H46 (1)
Stoich.:	A2B2C23D46 (1)
Weight, g/mol:	492.21573
ΔH_f, kcal/mol:	-160.87
Dipole, Da:	2.64
IP(EA), eV:	-8.92(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfanylbutyl]cyclopentyl]heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCCCCCCCC(=O)NC(CC)N(C)C)O

DOS

IR

Vibrations