Geometry & MOs

Info

ID:	62792
PubChem CID:	26736814
Reduced:	ClON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	279.072928
ΔH_f, kcal/mol:	64.49
Dipole, Da:	2.53
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations