Geometry & MOs

Info

ID:	69105
PubChem CID:	46518597
Reduced:	ClSO2N5H18C21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	343.079076
ΔH_f, kcal/mol:	21.61
Dipole, Da:	4.71
IP(EA), eV:	-8.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-(methylcarbamoylamino)phenyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=C(C=C3)NC(=O)NC)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations