Geometry & MOs

Info

ID:

218788

PubChem CID:

85089972

Reduced:

ClO3N6C26H29 (1)

Stoich.:

AB3C6D26E29 (1)

Weight, g/mol:

508.222781

ΔHf, kcal/mol:

-57.88

Dipole, Da:

1.67

IP(EA), eV:

 -8.64(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] 2-chloroacetate

Drug info:

PubChemData

Smile

CC1(CC(N2C1=C(N=C(C2=O)NCCC3=CC=C(C=C3)O)Cl)C(=O)NCC4=CC=C(C=C4)C(=N)N)C

DOS

IR

Vibrations