Geometry & MOs

Info

ID:	311442
PubChem CID:	126592896
Reduced:	BrFSO3N4C19H20 (1)
Stoich.:	ABCD3E4F19G20 (1)
Weight, g/mol:	563.08922
ΔH_f, kcal/mol:	-91.84
Dipole, Da:	7.59
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-[6-[1-(difluoromethyl)pyrazol-4-yl]pyridin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations