Geometry & MOs

Info

ID:	40810
PubChem CID:	8144737
Reduced:	BrON2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	401.97861
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	5.65
IP(EA), eV:	-9.57(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(3-bromophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CNC(=O)CNCC1=NC(=O)C2=C(N1)C(=CC(=C2)Br)Br

DOS

IR

Vibrations