Geometry & MOs

Info

ID:	145290
PubChem CID:	53493589
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-33.34
Dipole, Da:	2.62
IP(EA), eV:	-8.68(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4aR,4bS,7R,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde

Drug info:

PubChemData

Smile

CN1[C@@H]([C@@H](C1=O)S(=O)C)CC2=CC=CC=C2

DOS

IR

Vibrations