Geometry & MOs

Info

ID:	270017
PubChem CID:	103622255
Reduced:	BrSN2O5C7H7 (1)
Stoich.:	ABC2D5E7F7 (1)
Weight, g/mol:	311.95681
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	5.43
IP(EA), eV:	-10.04(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CONS(=O)(=O)C1=C(C=CC(=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations