Geometry & MOs

Info

ID:	64371
PubChem CID:	29199365
Reduced:	SO3N4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	377.119798
ΔH_f, kcal/mol:	-63.25
Dipole, Da:	7.72
IP(EA), eV:	-8.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-methyl-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C

DOS

IR

Vibrations