Geometry & MOs

Info

ID:

313078

PubChem CID:

126611698

Reduced:

SO2N4C9H14 (1)

Stoich.:

AB2C4D9E14 (1)

Weight, g/mol:

604.234746

ΔHf, kcal/mol:

-8.95

Dipole, Da:

4.76

IP(EA), eV:

-8.42(-0.17)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]-N-methyl-2-[[(13S,17S)-13-methyl-3-nitroso-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]ethanamine

Drug info:

PubChemData

Smile

CONC1=CN=C(S1)NC(=O)NCC2CC2

DOS

IR

Vibrations