Geometry & MOs

Info

ID:

308617

PubChem CID:

126497155

Reduced:

N2C15H18 (2)

Stoich.:

A2B15C18 (2)

Weight, g/mol:

796.34112

ΔHf, kcal/mol:

75.91

Dipole, Da:

4.17

IP(EA), eV:

 -8.41(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R,4aR,5R,6aS,6bR,9S,10S,12aR)-3,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-9-(pent-4-enoyloxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-5-iodopent-4-enoate

Drug info:

PubChemData

Smile

CC1C(C2=CC=CC=C2N3C1N(C4=CN=C(N=C43)C5=C(C=CC=C5C(C)C)C(C)C)C)CC=C

DOS

IR

Vibrations