Geometry & MOs

Info

ID:	282347
PubChem CID:	103923012
Reduced:	BrClSN2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	354.99901
ΔH_f, kcal/mol:	44.4
Dipole, Da:	3.05
IP(EA), eV:	-9.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-nitrophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C1=NC=CS1)NCC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations