Geometry & MOs

Info

ID:	244116
PubChem CID:	99313696
Reduced:	BrFON3H15C18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	486.173705
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	5.73
IP(EA), eV:	-8.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1NC(=O)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations