Geometry & MOs

Info

ID:

178831

PubChem CID:

76386779

Reduced:

SF3N3O6C32H48 (1)

Stoich.:

AB3C3D6E32F48 (1)

Weight, g/mol:

615.331763

ΔHf, kcal/mol:

-469.09

Dipole, Da:

10.86

IP(EA), eV:

 -9.57(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(10-amino-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-yl)-3-(trifluoromethylsulfonyl)urea

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1OC(=O)N)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)NC(=O)NS(=O)(=O)C(F)(F)F)C)C)C)C

DOS

IR

Vibrations