Geometry & MOs

Info

ID:

185811

PubChem CID:

77350976

Reduced:

N8O13C29H46 (1)

Stoich.:

A8B13C29D46 (1)

Weight, g/mol:

376.26136

ΔHf, kcal/mol:

-634.73

Dipole, Da:

12.04

IP(EA), eV:

 -9.88(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-hydroxy-6-[1-hydroxy-3-(4-methylcyclohexyl)prop-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C

DOS

IR

Vibrations