Geometry & MOs

Info

ID:	62290
PubChem CID:	26718977
Reduced:	BrO4N6H11C16 (1)
Stoich.:	AB4C6D11E16 (1)
Weight, g/mol:	432.98959
ΔH_f, kcal/mol:	55.96
Dipole, Da:	7.71
IP(EA), eV:	-9.39(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-bromobenzoyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])Br

DOS

IR

Vibrations