Geometry & MOs

Info

ID:	35884
PubChem CID:	7980445
Reduced:	BrNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-126.96
Dipole, Da:	5.15
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(3S)-3-phenylbutanoyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CCCOC2=CC=C(C=C2)Br

DOS

IR

Vibrations