Geometry & MOs

Info

ID:

218872

PubChem CID:

85090091

Reduced:

SN3O4C29H33 (1)

Stoich.:

AB3C4D29E33 (1)

Weight, g/mol:

521.07012

ΔHf, kcal/mol:

-120.59

Dipole, Da:

4.61

IP(EA), eV:

 -8.86(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7'-hydroxy-5'-methyl-10',13'-dioxo-12'-phenylselanylspiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl)methyl carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C1=CC=CC=C1)C(=O)NC2C(SCCNC2=O)C3=CC=CC4=CC=CC=C43)O

DOS

IR

Vibrations