Geometry & MOs

Info

ID:

180345

PubChem CID:

76617881

Reduced:

O5C23H26 (1)

Stoich.:

A5B23C26 (1)

Weight, g/mol:

755.581237

ΔHf, kcal/mol:

-145.28

Dipole, Da:

2.41

IP(EA), eV:

 -9.16(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[3-[5-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoylamino]propanoylamino]propanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(C=C3)C#C

DOS

IR

Vibrations