Geometry & MOs

Info

ID:	156074
PubChem CID:	56369022
Reduced:	BrClFO2N3C18H18 (1)
Stoich.:	ABCD2E3F18G18 (1)
Weight, g/mol:	415.055754
ΔH_f, kcal/mol:	-89.58
Dipole, Da:	4.42
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)Cl)Br

DOS

IR

Vibrations