Geometry & MOs

Info

ID:

161317

PubChem CID:

57391327

Reduced:

O2N6H28C33 (1)

Stoich.:

A2B6C28D33 (1)

Weight, g/mol:

518.223929

ΔHf, kcal/mol:

123.14

Dipole, Da:

2.92

IP(EA), eV:

 -8.12(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-17-(2-quinazolin-4-ylsulfanylacetyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)N(CC3=CC=CC=C3C4=CN=CC=C4)C(=O)C5=CC=C(O5)C6=CN=C(C=C6)C#N

DOS

IR

Vibrations