Geometry & MOs

Info

ID:

318343

PubChem CID:

126650586

Reduced:

SF3O3N5H22C25 (1)

Stoich.:

AB3C3D5E22F25 (1)

Weight, g/mol:

671.571341

ΔHf, kcal/mol:

-162.18

Dipole, Da:

5.89

IP(EA), eV:

 -9.44(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[4-(3-aminopropylamino)-5-[2-(dimethylamino)ethylamino]-5-oxopentyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC3=C(C=C2)[C@@H](CCO3)C4=C(C=C(C=C4)C(F)(F)F)C5=CC=NN5C

DOS

IR

Vibrations