Geometry & MOs

Info

ID:	308402
PubChem CID:	125326889
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	582.537581
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	4.3
IP(EA), eV:	-9.6(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=C(N=N1)C)CCC(=O)NC2=NC(=C(S2)CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations