Geometry & MOs

Info

ID:	39608
PubChem CID:	8141602
Reduced:	F2N2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	380.019783
ΔH_f, kcal/mol:	-172.63
Dipole, Da:	6.58
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC(=O)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations