Geometry & MOs

Info

ID:	167144
PubChem CID:	74786431
Reduced:	N2S2O3H16C20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	406.213067
ΔH_f, kcal/mol:	-38.95
Dipole, Da:	4.64
IP(EA), eV:	-8.67(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C(=O)CN3C(=O)C(=CC4=CC=CS4)SC3=O

DOS

IR

Vibrations