Geometry & MOs

Info

ID:

376609

PubChem CID:

134222630

Reduced:

FO5N9H20C21 (1)

Stoich.:

AB5C9D20E21 (1)

Weight, g/mol:

392.29266

ΔHf, kcal/mol:

-47.51

Dipole, Da:

12.1

IP(EA), eV:

 -9.17(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

C1C(CN(C1C(NC2=NONC2=O)O)C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N)F

DOS

IR

Vibrations