Geometry & MOs

Info

ID:	44165
PubChem CID:	10501253
Reduced:	OS2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	401.241762
ΔH_f, kcal/mol:	22.54
Dipole, Da:	4.62
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)[C@@H]3CSC(N3)C4=CSC=C4

DOS

IR

Vibrations