Geometry & MOs

Info

ID:

150642

PubChem CID:

53790336

Reduced:

SN3O3C10H10 (2)

Stoich.:

AB3C3D10E10 (2)

Weight, g/mol:

345.303165

ΔHf, kcal/mol:

-134.85

Dipole, Da:

4.45

IP(EA), eV:

 -9.3(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2R,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=O)C(=O)NN=C1SCC2=C(N3[C@H](C(C3=O)NC(=O)C(C4=CC=CC=C4)N)SC2)C(=O)O

DOS

IR

Vibrations