Geometry & MOs

Info

ID:

32075

PubChem CID:

4265958

Reduced:

BrN2O5H17C24 (1)

Stoich.:

AB2C5D17E24 (1)

Weight, g/mol:

632.382537

ΔHf, kcal/mol:

-35.2

Dipole, Da:

5.44

IP(EA), eV:

 -9.4(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,4,6a,6b,8a,11,14b-heptamethyl-11-[(3-nitrophenyl)carbamoyl]-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate

Drug info:

PubChemData

Smile

COC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations