Geometry & MOs

Info

ID:

329521

PubChem CID:

126737781

Reduced:

ClFSO4N5C25H27 (1)

Stoich.:

ABCD4E5F25G27 (1)

Weight, g/mol:

468.360345

ΔHf, kcal/mol:

-138.28

Dipole, Da:

5.9

IP(EA), eV:

 -8.97(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6aR,6bR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=C(N=CC(=C1)Cl)COC(=O)N2CC3=C(C2)CN(C3)C(=O)C4=C(C=C(C=C4)SN)F

DOS

IR

Vibrations