Geometry & MOs

Info

ID:	161051
PubChem CID:	57390628
Reduced:	SN2F3O5H11C13 (1)
Stoich.:	AB2C3D5E11F13 (1)
Weight, g/mol:	382.132885
ΔH_f, kcal/mol:	-293.59
Dipole, Da:	9.25
IP(EA), eV:	-9.08(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(Z)-2-cyano-3-hydroxypent-2-enoyl]amino]-2-(4-fluoro-2-methylphenyl)benzoate

Drug info:

PubChemData

Smile

CC/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)/O

DOS

IR

Vibrations