Geometry & MOs

Info

ID:	196405
PubChem CID:	78820291
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	440.98951
ΔH_f, kcal/mol:	-154.0
Dipole, Da:	6.09
IP(EA), eV:	-8.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC(=O)NCCO

DOS

IR

Vibrations