Geometry & MOs

Info

ID:

215294

PubChem CID:

85084496

Reduced:

PN6O8C42H51 (1)

Stoich.:

AB6C8D42E51 (1)

Weight, g/mol:

798.419042

ΔHf, kcal/mol:

-228.84

Dipole, Da:

5.43

IP(EA), eV:

 -8.87(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-acetyl-3-[5-(5-acetyloxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(OC)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C(N=CN=C65)NC(=O)OCC=C

DOS

IR

Vibrations