Geometry & MOs

Info

ID:	276265
PubChem CID:	103821821
Reduced:	FN2O4C16H23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	330.139113
ΔH_f, kcal/mol:	-236.67
Dipole, Da:	3.98
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=C(C=CC(=C1)F)C(=O)OC

DOS

IR

Vibrations