Geometry & MOs

Info

ID:	193901
PubChem CID:	78452203
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	430.216438
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	6.57
IP(EA), eV:	-8.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-(6-oxo-11-propylsulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=CS5

DOS

IR

Vibrations