Geometry & MOs

Info

ID:	438341
PubChem CID:	135228074
Reduced:	ION2F3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	502.174928
ΔH_f, kcal/mol:	-124.31
Dipole, Da:	5.81
IP(EA), eV:	-8.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-1-[3-(2-hydroxypropan-2-yloxy)propyl]cyclopropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=C(C(=C1N)NC2=C(C=C(C=C2)I)F)F)F

DOS

IR

Vibrations