Geometry & MOs

Info

ID:	158950
PubChem CID:	57244286
Reduced:	NSC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	464.270649
ΔH_f, kcal/mol:	18.31
Dipole, Da:	3.43
IP(EA), eV:	-8.51(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN1CCC(CC1)CC2(C=CC=CC2=S)C

DOS

IR

Vibrations