Geometry & MOs

Info

ID:

442072

PubChem CID:

135249114

Reduced:

O3N5C29H35 (1)

Stoich.:

A3B5C29D35 (1)

Weight, g/mol:

1187.675651

ΔHf, kcal/mol:

-85.65

Dipole, Da:

7.65

IP(EA), eV:

 -8.6(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,2,9,12-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-[2-[2-[[(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]oxy]-2-oxoethoxy]acetyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCN(C1=CC(=CC(=C1C)C(=O)NCC2=C(C=C(NC2=O)C)C)C3=C(N=C(C=C3)NC)C)C(=O)C4CC4

DOS

IR

Vibrations