Geometry & MOs

Info

ID:	259138
PubChem CID:	103158340
Reduced:	FNO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	348.0121
ΔH_f, kcal/mol:	-248.66
Dipole, Da:	7.66
IP(EA), eV:	-9.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-2-fluorophenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NC1=C(C=CC(=C1)F)F

DOS

IR

Vibrations