Geometry & MOs

Info

ID:	68135
PubChem CID:	46507816
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	467.173959
ΔH_f, kcal/mol:	14.66
Dipole, Da:	9.37
IP(EA), eV:	-9.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[11-(azepan-1-yl)-5-oxo-10-thia-3,4,6,8,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl]-N-(2-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=NC=C(N=C3C=C2)NCC4=CN=CC=C4

DOS

IR

Vibrations