Geometry & MOs

Info

ID:

309279

PubChem CID:

126541803

Reduced:

N3C27H47 (1)

Stoich.:

A3B27C47 (1)

Weight, g/mol:

811.29867

ΔHf, kcal/mol:

-42.5

Dipole, Da:

3.44

IP(EA), eV:

 -8.65(2.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N-[1,4-bis(sulfanyl)butan-2-yl]-N-(6-hydroxyhexyl)carbamate

Drug info:

PubChemData

Smile

CC1C2(CCCC2)CC(N1)C3CCCC4(C3)CC(NC4C)CC5CCCC6(N5)CC6

DOS

IR

Vibrations