Geometry & MOs

Info

ID:

309442

PubChem CID:

126546283

Reduced:

NSO6C18H23 (1)

Stoich.:

ABC6D18E23 (1)

Weight, g/mol:

616.44916

ΔHf, kcal/mol:

-165.84

Dipole, Da:

3.63

IP(EA), eV:

 -8.71(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(3aR,5aR,5bR,7aR,11aS,11bR,13aS)-3a-formyl-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC#CCOC1=CC=C(C=C1)C2=NOC(C2)CC(C)(C(O)O)S(=O)(=O)C

DOS

IR

Vibrations