Geometry & MOs

Info

ID:	138946
PubChem CID:	52447785
Reduced:	OSN3F5H16C20 (1)
Stoich.:	ABC3D5E16F20 (1)
Weight, g/mol:	449.102097
ΔH_f, kcal/mol:	-231.78
Dipole, Da:	4.22
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C([C@@H](NC(=S)N1C)C2=C(C=CC=C2F)F)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations