Geometry & MOs

Info

ID:	194106
PubChem CID:	78483843
Reduced:	SN3O5C18H28 (1)
Stoich.:	AB3C5D18E28 (1)
Weight, g/mol:	362.190223
ΔH_f, kcal/mol:	-175.1
Dipole, Da:	13.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756690
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-N-(1-methylpiperidin-1-ium-4-yl)-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH2+]CC3CCCO3

DOS

IR

Vibrations