Geometry & MOs

Info

ID:	140642
PubChem CID:	52734725
Reduced:	OSN2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	330.176585
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020927
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(diethylamino)-2-phenylethyl]-3-ethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)NC[C@@H](C2=CC=CC=C2)[NH+](CC)CC

DOS

IR

Vibrations