Geometry & MOs

Info

ID:	292361
PubChem CID:	114917495
Reduced:	FCl2N3O3H6C12 (1)
Stoich.:	AB2C3D3E6F12 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	7.38
IP(EA), eV:	-9.88(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(butan-2-ylamino)acetyl]amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CC(=NC=C2Cl)Cl)[N+](=O)[O-])F

DOS

IR

Vibrations