Geometry & MOs

Info

ID:	381975
PubChem CID:	134972865
Reduced:	IN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	399.147046
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	3.86
IP(EA), eV:	-8.65(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[3,6-bis(methylsulfanyl)pyridazin-4-yl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(C2[C@@H](C([C@@H](O2)N=[N+]=[N-])I)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations