Geometry & MOs

Info

ID:	77887
PubChem CID:	49666410
Reduced:	ClSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-147.99
Dipole, Da:	4.47
IP(EA), eV:	-9.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(azepan-1-ylsulfonyl)-2-oxopyridin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=CN(C2=O)CC(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations