Geometry & MOs

Info

ID:

390112

PubChem CID:

134997126

Reduced:

SN2O4C21H30 (1)

Stoich.:

AB2C4D21E30 (1)

Weight, g/mol:

417.215138

ΔHf, kcal/mol:

-124.67

Dipole, Da:

8.95

IP(EA), eV:

 -9.38(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(10R,11S,13R,14S,17S)-11-hydroxy-13-(hydroxyiminomethyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC[C@H](C(=O)N1C2CC3CC[C@]2(C3(C)C)CS1(=O)=O)NOCC4=CC=CC=C4

DOS

IR

Vibrations