Geometry & MOs

Info

ID:

215009

PubChem CID:

85083987

Reduced:

F3N5O7C32H42 (1)

Stoich.:

A3B5C7D32E42 (1)

Weight, g/mol:

664.25835

ΔHf, kcal/mol:

-464.79

Dipole, Da:

3.24

IP(EA), eV:

 -9.26(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-acetyl-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]but-2-enyl acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CC(C)C(F)(F)F)NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations