Geometry & MOs

Info

ID:	194695
PubChem CID:	78577281
Reduced:	S2N3O4C19H26 (1)
Stoich.:	A2B3C4D19E26 (1)
Weight, g/mol:	404.080633
ΔH_f, kcal/mol:	-98.44
Dipole, Da:	3.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.036296
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)phenyl]-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

DOS

IR

Vibrations