Geometry & MOs

Info

ID:	30414
PubChem CID:	841292
Reduced:	SN2O5H12C14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	318.939218
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	6.79
IP(EA), eV:	-9.44(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations