Geometry & MOs

Info

ID:	32118
PubChem CID:	4266152
Reduced:	FBr2N4O4H25C35 (1)
Stoich.:	AB2C4D4E25F35 (1)
Weight, g/mol:	458.965433
ΔH_f, kcal/mol:	-63.85
Dipole, Da:	2.82
IP(EA), eV:	-9.3(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzoyl-4-chlorophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3C(N4C5C(C(N4C3C2=O)C6=CC=C(C=C6)Br)C(=O)N(C5=O)C7=CC(=CC=C7)F)C8=CC=C(C=C8)Br

DOS

IR

Vibrations