Geometry & MOs

Info

ID:

326798

PubChem CID:

126688215

Reduced:

FO2N6H11C12 (1)

Stoich.:

AB2C6D11E12 (1)

Weight, g/mol:

606.10493

ΔHf, kcal/mol:

-24.44

Dipole, Da:

2.53

IP(EA), eV:

 -8.89(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(13S,15S)-16-(hydroxymethylidene)-2-iodo-3-methoxy-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC2=NNC(=O)N2C=C1C3=NC=C(C(=N3)NCCO)F

DOS

IR

Vibrations