Geometry & MOs

Info

ID:	375475
PubChem CID:	131529852
Reduced:	ClFNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	221.014664
ΔH_f, kcal/mol:	-121.56
Dipole, Da:	2.35
IP(EA), eV:	-9.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-nitro-1-benzothiophene-7-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)Cl)C(C(=O)OC)N

DOS

IR

Vibrations