Geometry & MOs

Info

ID:	70193
PubChem CID:	47211609
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	318.965912
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	4.19
IP(EA), eV:	-9.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)C2=C[N+](=CC=C2)[O-]

DOS

IR

Vibrations