Geometry & MOs

Info

ID:

230528

PubChem CID:

87571256

Reduced:

BrSN3O3F5H27C29 (1)

Stoich.:

ABC3D3E5F27G29 (1)

Weight, g/mol:

390.324629

ΔHf, kcal/mol:

-292.96

Dipole, Da:

7.16

IP(EA), eV:

 -10.07(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,8R,9R,10R,13S,14S)-3-(3-aminopropoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N[C@@H](CC1=C(C=C(C=C1F)Br)F)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

DOS

IR

Vibrations