Geometry & MOs

Info

ID:

308620

PubChem CID:

126497167

Reduced:

N6H34C41 (1)

Stoich.:

A6B34C41 (1)

Weight, g/mol:

736.491419

ΔHf, kcal/mol:

261.26

Dipole, Da:

6.08

IP(EA), eV:

 -6.83(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4S,6bS,8R,8aR,9S,10R,14bR)-3,8-dihydroxy-4,6b,10,11,11,14b-hexamethyl-9-(3-methylbut-2-enoyloxy)-8a-(3-methylbut-2-enoyloxymethyl)-2,3,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(N(C3=CC=CC=C32)C4=CC=CC=C4)C5C(C6=CC=CC=C6N7C5N(C8=NC=CN=C87)C9=CC=CC=C9)C=C

DOS

IR

Vibrations