Geometry & MOs

Info

ID:

161163

PubChem CID:

57390933

Reduced:

ClN2O3H31C32 (1)

Stoich.:

AB2C3D31E32 (1)

Weight, g/mol:

374.209324

ΔHf, kcal/mol:

-61.28

Dipole, Da:

5.8

IP(EA), eV:

 -8.62(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4aR,4bR,7R,10aS)-7-ethenyl-4b-hydroxy-1,1,7,8-tetramethyl-9,10-dioxo-2,3,4,5,6,10a-hexahydrophenanthrene-4a-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC3=C(C=C2)[C@@H](CCC3)NC(=O)C4=CC=CC(=C4)C5=COC6=C(C5=O)C=C(C=C6)Cl

DOS

IR

Vibrations