Geometry & MOs

Info

ID:	213316
PubChem CID:	81063438
Reduced:	N2O4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	343.02193
ΔH_f, kcal/mol:	-220.18
Dipole, Da:	6.37
IP(EA), eV:	-9.87(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCNC(=O)C(C)(C)C

DOS

IR

Vibrations