Geometry & MOs

Info

ID:	252307
PubChem CID:	103110447
Reduced:	BrOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	295.079076
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	7.41
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-5-fluoropyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=C(C=C1)Br)C(=S)N

DOS

IR

Vibrations