Geometry & MOs

Info

ID:

440878

PubChem CID:

135231986

Reduced:

O3N12C35H54 (1)

Stoich.:

A3B12C35D54 (1)

Weight, g/mol:

395.076219

ΔHf, kcal/mol:

-41.17

Dipole, Da:

6.14

IP(EA), eV:

 -8.64(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-2-methyl-1,1-dioxo-4'-prop-1-ynylspiro[6H-1,2,4-thiadiazine-5,13'-8-thiatetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaene]-3-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)NCCCNCCCN2N=C(N=N2)CNC3=NC4=CC=CC=C4C(=N3)NC5CCN(CC5)C(=O)CCN6CCC[C@@H]6C(=O)O

DOS

IR

Vibrations