Geometry & MOs

Info

ID:	39862
PubChem CID:	8142589
Reduced:	OSN3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	42.81
Dipole, Da:	13.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756284
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+](C)CC2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations