Geometry & MOs

Info

ID:	370121
PubChem CID:	127337492
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	1.99
IP(EA), eV:	-8.64(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC=C1)NC(=O)NCC2(CCSC2)N3CCOCC3

DOS

IR

Vibrations