Geometry & MOs

Info

ID:

79994

PubChem CID:

49832049

Reduced:

IN2O5H25C26 (1)

Stoich.:

AB2C5D25E26 (1)

Weight, g/mol:

594.366887

ΔHf, kcal/mol:

-101.66

Dipole, Da:

4.73

IP(EA), eV:

 -8.4(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)O)CCI)OC)OC

DOS

IR

Vibrations