Geometry & MOs

Info

ID:	196325
PubChem CID:	78811605
Reduced:	ClNSO3C17H18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	-94.5
Dipole, Da:	2.48
IP(EA), eV:	-9.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(4-methylphenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)COC(=O)CC2=CSC(=N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations