Geometry & MOs

Info

ID:

231113

PubChem CID:

87572670

Reduced:

ClO2N8C23H29 (1)

Stoich.:

AB2C8D23E29 (1)

Weight, g/mol:

388.272593

ΔHf, kcal/mol:

9.48

Dipole, Da:

11.86

IP(EA), eV:

 -9.24(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,4S,8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-3-[(3R)-pyrrolidin-3-yl]oxyimino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C1CC(CCC1NCCO)NC2=NN3C(=CN=C3C(=C2)NC4CC4)C(=O)NC5=CC(=NC=C5)Cl

DOS

IR

Vibrations