Geometry & MOs

Info

ID:	202765
PubChem CID:	79722945
Reduced:	FNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	300.01095
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	2.54
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-4-bromobenzoyl)amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(C2=NC=C(C=C2)F)O

DOS

IR

Vibrations