Geometry & MOs

Info

ID:	155217
PubChem CID:	56322746
Reduced:	BrSN3O3C17H22 (1)
Stoich.:	ABC3D3E17F22 (1)
Weight, g/mol:	382.00837
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	5.24
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCCNS(=O)(=O)C2=C(C=CC(=C2)C)C)Br

DOS

IR

Vibrations