Geometry & MOs

Info

ID:	213589
PubChem CID:	81064311
Reduced:	NF2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	304.97213
ΔH_f, kcal/mol:	-219.93
Dipole, Da:	3.45
IP(EA), eV:	-10.08(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=C(C(=CC=C1)F)F

DOS

IR

Vibrations