Geometry & MOs

Info

ID:	178072
PubChem CID:	76272887
Reduced:	SO3N4C22H32 (1)
Stoich.:	AB3C4D22E32 (1)
Weight, g/mol:	468.154135
ΔH_f, kcal/mol:	-110.73
Dipole, Da:	4.76
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[3-methyl-1-oxo-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3CCCN3C(=O)C4=CC=CS4

DOS

IR

Vibrations