Geometry & MOs

Info

ID:	435404
PubChem CID:	135191372
Reduced:	ClO2N5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	401.088635
ΔH_f, kcal/mol:	23.02
Dipole, Da:	2.95
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3,4-bis(difluoromethoxy)phenyl]propanoylamino]benzoic acid

Drug info:

PubChemData

Smile

C1C2[C@]1(COC(OC2)C3=CC=CC=C3)CN4C=NC5=C4N=C(N=C5Cl)N

DOS

IR

Vibrations