Geometry & MOs

Info

ID:	68480
PubChem CID:	46508500
Reduced:	FSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	449.144299
ΔH_f, kcal/mol:	-183.19
Dipole, Da:	4.12
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC(=C(C=C3)C)F

DOS

IR

Vibrations