Geometry & MOs

Info

ID:	77468
PubChem CID:	49635719
Reduced:	FSO3N4C19H29 (1)
Stoich.:	ABC3D4E19F29 (1)
Weight, g/mol:	338.177647
ΔH_f, kcal/mol:	-165.89
Dipole, Da:	3.97
IP(EA), eV:	-9.03(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-[3-(dimethylamino)propyl]urea

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations