Geometry & MOs

Info

ID:	161609
PubChem CID:	57392133
Reduced:	NSO2C10H18 (2)
Stoich.:	ABC2D10E18 (2)
Weight, g/mol:	492.09833
ΔH_f, kcal/mol:	-196.56
Dipole, Da:	0.94
IP(EA), eV:	-8.83(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

CCC(CC)(C=NCC(=O)OCC)SSC(CC)(CC)C=NCC(=O)OCC

DOS

IR

Vibrations