Geometry & MOs

Info

ID:

437016

PubChem CID:

135213730

Reduced:

O7N12C65H104 (1)

Stoich.:

A7B12C65D104 (1)

Weight, g/mol:

448.116504

ΔHf, kcal/mol:

-360.04

Dipole, Da:

6.34

IP(EA), eV:

 -8.95(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(dimethylcarbamoyl)-5-methyl-9-oxo-3-[(Z)-2-pyridin-3-ylethenyl]-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)N1CCC(CC1)(CCC2=CC(=CC=C2)CC(C)(C)OC(=O)NCCCNC(=O)N3CCC(CC3)(CCC4=CC(=CC=C4)CN(C)CCCNC(=O)N5CCC(CC5)(CCC6=CC=CC=C6)CN)CN)CN

DOS

IR

Vibrations