Geometry & MOs

Info

ID:	177196
PubChem CID:	76146020
Reduced:	NS3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	458.1334
ΔH_f, kcal/mol:	-157.98
Dipole, Da:	7.99
IP(EA), eV:	-8.83(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-oxo-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)S(=O)(=O)NCC2(CCOCC2)SC3=CC=CC=C3

DOS

IR

Vibrations