Geometry & MOs

Info

ID:

218778

PubChem CID:

85089956

Reduced:

SeO3C10H13 (2)

Stoich.:

AB3C10D13 (2)

Weight, g/mol:

508.195799

ΔHf, kcal/mol:

-241.34

Dipole, Da:

8.58

IP(EA), eV:

 -8.39(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(19-ethyl-19-hydroxy-10-methyl-6-oxido-14,18-dioxo-17-oxa-3,13-diaza-6-azoniapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl)methyl]carbamate

Drug info:

PubChemData

Smile

COC1CCC2C(C1)OC=C(C2=O)[Se][Se]C3=COC4CC(CCC4C3=O)OC

DOS

IR

Vibrations