Geometry & MOs

Info

ID:	268289
PubChem CID:	103598766
Reduced:	OSN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	33.26
Dipole, Da:	5.43
IP(EA), eV:	-9.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)C(=O)C=CC2=CN=CC=C2

DOS

IR

Vibrations