Geometry & MOs

Info

ID:	77469
PubChem CID:	49640647
Reduced:	SO2N4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	5.35
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)NCCC(=O)N1CCC2=C(C1)C=CS2

DOS

IR

Vibrations