Geometry & MOs

Info

ID:

320387

PubChem CID:

126660125

Reduced:

ClNO2C29H42 (1)

Stoich.:

ABC2D29E42 (1)

Weight, g/mol:

627.465145

ΔHf, kcal/mol:

-134.3

Dipole, Da:

6.37

IP(EA), eV:

 -9.07(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2R,2'S,3R,3aS,5'S,6S)-2',3,5',6,17'-pentamethyl-4-[2-(2-phenylmethoxyethoxy)ethyl]spiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,16'-hexacyclo[9.9.0.01,10.02,7.013,19.017,19]icos-6-ene]

Drug info:

PubChemData

Smile

CC1CC2[C@H](CC3(O2)CCC4C5CCC6=CC(=O)CCC6(C5CC4=C(C3)C)C)N(C1)CCCl

DOS

IR

Vibrations