Geometry & MOs

Info

ID:	194108
PubChem CID:	78484064
Reduced:	SO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	428.217187
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753332
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C(=O)N(CC[NH+]3CCOCC3)CC4CCC=CC4)SC=C2

DOS

IR

Vibrations