Geometry & MOs

Info

ID:	406478
PubChem CID:	135077741
Reduced:	SN3O5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	7.48
IP(EA), eV:	-9.16(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,8S)-3-hydroxy-10,10-dimethyltricyclo[6.3.0.03,6]undecane-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\C3=CC(=CC=C3)OC

DOS

IR

Vibrations