Geometry & MOs

Info

ID:	292317
PubChem CID:	114916620
Reduced:	NF3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	366.98778
ΔH_f, kcal/mol:	-280.08
Dipole, Da:	5.73
IP(EA), eV:	-9.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromothiophene-2-carbonyl)amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C(=O)O)NC(=O)CC(F)(F)F

DOS

IR

Vibrations