Geometry & MOs

Info

ID:	7282
PubChem CID:	71913
Reduced:	BrSN2O2C20H27 (1)
Stoich.:	ABC2D2E20F27 (1)
Weight, g/mol:	438.09766
ΔH_f, kcal/mol:	-46.81
Dipole, Da:	9.97
IP(EA), eV:	-7.96(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide;bromide

Drug info:

PubChemData

Smile

CN(CC[N+]1(CCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

DOS

IR

Vibrations