Geometry & MOs

Info

ID:	46308
PubChem CID:	10523819
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-117.92
Dipole, Da:	7.68
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-1,2-dibenzyl-4-oxoazetidine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)CO

DOS

IR

Vibrations