Geometry & MOs

Info

ID:

222087

PubChem CID:

85293857

Reduced:

N5O7C27H33 (1)

Stoich.:

A5B7C27D33 (1)

Weight, g/mol:

540.381884

ΔHf, kcal/mol:

-237.95

Dipole, Da:

8.96

IP(EA), eV:

 -9.49(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-2-prop-1-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-dimethylsilane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN1CCOC(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=NC(=O)OCC3=CC=CC=C3)N

DOS

IR

Vibrations