Geometry & MOs

Info

ID:

311883

PubChem CID:

126598708

Reduced:

F3O3N4H17C22 (1)

Stoich.:

A3B3C4D17E22 (1)

Weight, g/mol:

516.407964

ΔHf, kcal/mol:

-182.34

Dipole, Da:

5.5

IP(EA), eV:

 -8.85(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(5aR)-5a,5b,8,8,11a-pentamethyl-9-(4-methylphenyl)-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-3a-yl]-3-methylurea

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CN=C(C=C3)NCC4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations