Geometry & MOs

Info

ID:	218153
PubChem CID:	85088957
Reduced:	SO4N6C19H32 (1)
Stoich.:	AB4C6D19E32 (1)
Weight, g/mol:	434.230453
ΔH_f, kcal/mol:	-124.95
Dipole, Da:	8.74
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

Drug info:

PubChemData

Smile

CCCC1C2C(C(=O)NC(N2)C3=C(C=CC(=C3)S(=O)(=O)NCCN)OCC)N(N1)C

DOS

IR

Vibrations