Geometry & MOs

Info

ID:	123406
PubChem CID:	50846010
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	353.008884
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	5.36
IP(EA), eV:	-8.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2,4-difluorophenyl)-3-methoxy-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)C(C)C)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4CCCCC4

DOS

IR

Vibrations