Geometry & MOs

Info

ID:

148550

PubChem CID:

53788216

Reduced:

O16C37H52 (1)

Stoich.:

A16B37C52 (1)

Weight, g/mol:

426.407296

ΔHf, kcal/mol:

-619.57

Dipole, Da:

1.71

IP(EA), eV:

 -9.97(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethane;(2R,3S,4R)-2-[(Z)-7-hydroxyhept-2-enyl]-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-4-methylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1C2C3(CCC4C(C3C(C(C2(CO1)[C@@H](C)OC(=O)C)OC(=O)C)OC(=O)C)(C(C(C56C4(CC(C7C5([C@@]6(C)OO)O7)O)O)OC(=O)C)OC(=O)C)C)C

DOS

IR

Vibrations