Geometry & MOs

Info

ID:	390157
PubChem CID:	134997418
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	277.095662
ΔH_f, kcal/mol:	-12.84
Dipole, Da:	5.01
IP(EA), eV:	-9.48(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(trimethylsilylmethylsulfanyl)-2H-cyclohepta[c]pyrrol-1-one

Drug info:

PubChemData

Smile

C1C(N(OC1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations