Geometry & MOs

Info

ID:	21274
PubChem CID:	587824
Reduced:	ClSN3O4H10C13 (1)
Stoich.:	ABC3D4E10F13 (1)
Weight, g/mol:	339.008055
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	4.19
IP(EA), eV:	-9.79(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methylcarbamoyl]-5-nitrothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CNC(=O)NC(=O)C2=CSC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations