Geometry & MOs

Info

ID:	165916
PubChem CID:	74614491
Reduced:	F2S2N3O5C19H21 (1)
Stoich.:	A2B2C3D5E19F21 (1)
Weight, g/mol:	493.148298
ΔH_f, kcal/mol:	-239.54
Dipole, Da:	3.98
IP(EA), eV:	-9.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)F)F)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations