Geometry & MOs

Info

ID:	383574
PubChem CID:	134975368
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	337.171165
ΔH_f, kcal/mol:	-169.07
Dipole, Da:	6.34
IP(EA), eV:	-9.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]octa-2,7-dien-1-one

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H]1CC[C@@H](O1)CNS(=O)(=O)C2=CC=C(C=C2)C)O

DOS

IR

Vibrations