Geometry & MOs

Info

ID:	147845
PubChem CID:	53787503
Reduced:	ClON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	473.191048
ΔH_f, kcal/mol:	55.52
Dipole, Da:	4.28
IP(EA), eV:	-9.37(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-3-[[2-[(4-butyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-oxoazetidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NO2)C3=C(C=C(C=C3)Cl)CN

DOS

IR

Vibrations