Geometry & MOs

Info

ID:	234505
PubChem CID:	92298569
Reduced:	N2S2O3C6H12 (1)
Stoich.:	A2B2C3D6E12 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	-122.15
Dipole, Da:	6.45
IP(EA), eV:	-9.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,8R,9S,10S,13S,14S)-3-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C[C@H]1SC(=N)N)O

DOS

IR

Vibrations