Geometry & MOs

Info

ID:	23890
PubChem CID:	607020
Reduced:	ClSN2O4H11C16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	362.012806
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	2.99
IP(EA), eV:	-8.92(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-methoxy-2-nitrophenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations