Geometry & MOs

Info

ID:	48513
PubChem CID:	10852051
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-17.44
Dipole, Da:	10.71
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,7S)-8-hydroxy-4,4,7-trimethyl-9-(2-methylpropanoyl)tricyclo[5.3.1.01,5]undec-8-ene-10,11-dione

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CC2=CC=CC=N2)C

DOS

IR

Vibrations