Geometry & MOs

Info

ID:	386513
PubChem CID:	134981996
Reduced:	NSO4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	4.9
IP(EA), eV:	-9.27(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohepta-1,3,5-trien-1-yl-10,10-dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(=C(C=C3C2)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations