Geometry & MOs

Info

ID:	28523
PubChem CID:	828106
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	320.13472
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	1.22
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

Drug info:

PubChemData

Smile

C1CN2CCC1[C@H](C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations