Geometry & MOs

Info

ID:	213657
PubChem CID:	81064508
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	356.03717
ΔH_f, kcal/mol:	-170.94
Dipole, Da:	5.42
IP(EA), eV:	-9.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=CC=C1F

DOS

IR

Vibrations