Geometry & MOs

Info

ID:

169044

PubChem CID:

75058562

Reduced:

S2Si2O5C37H48 (1)

Stoich.:

A2B2C5D37E48 (1)

Weight, g/mol:

435.331271

ΔHf, kcal/mol:

-246.71

Dipole, Da:

3.68

IP(EA), eV:

 -8.5(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2,6-difluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C2CC(C(=C1OCC3=CC4=CC=CC=C4S3)CC5=CC6=CC=CC=C6S5)(C(=O)O2)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations