Geometry & MOs

Info

ID:	126167
PubChem CID:	50954255
Reduced:	ON2C24H26 (1)
Stoich.:	AB2C24D26 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	24.06
Dipole, Da:	3.36
IP(EA), eV:	-8.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@@H]2[C@H](C1)[C@@](N[C@@H]2C3=CC=CC4=CC=CC=C43)(CO)C5=CC=CC=C5

DOS

IR

Vibrations