Geometry & MOs

Info

ID:	446816
PubChem CID:	135277934
Reduced:	BrFN3O4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	-155.73
Dipole, Da:	4.14
IP(EA), eV:	-9.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(phenylcarbamoylamino)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=C(C=CC(=C1)Br)F)C2=NC=C(N=C2)[C@H]3CC3C(=O)OC

DOS

IR

Vibrations