Geometry & MOs

Info

ID:	39778
PubChem CID:	8142248
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	367.099063
ΔH_f, kcal/mol:	-201.06
Dipole, Da:	2.69
IP(EA), eV:	-8.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)COC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)OCC

DOS

IR

Vibrations