Geometry & MOs

Info

ID:

169434

PubChem CID:

75104258

Reduced:

OPN3C28H38 (1)

Stoich.:

ABC3D28E38 (1)

Weight, g/mol:

654.39925

ΔHf, kcal/mol:

-49.78

Dipole, Da:

3.72

IP(EA), eV:

 -8.92(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynyl]-4-(3,12-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)pentanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C#CC2=CC=CC=C2)NP3(=O)N(C4CCCCC4N3C(C)C)C(C)C

DOS

IR

Vibrations