Geometry & MOs

Info

ID:

166323

PubChem CID:

74670485

Reduced:

SN2O2C17H21 (1)

Stoich.:

AB2C2D17E21 (1)

Weight, g/mol:

433.216104

ΔHf, kcal/mol:

1.18

Dipole, Da:

2.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.987354

Charge, e:

 1

Chem-info

IUPAC name:

3,4,5-triethoxy-N-(2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(CNC(=O)C=CC2=CC=CO2)C3=CC=CS3

DOS

IR

Vibrations