Geometry & MOs

Info

ID:

436997

PubChem CID:

135213602

Reduced:

ClO2N5C25H32 (1)

Stoich.:

AB2C5D25E32 (1)

Weight, g/mol:

471.099474

ΔHf, kcal/mol:

-53.16

Dipole, Da:

3.22

IP(EA), eV:

 -8.08(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(dimethylcarbamoyl)-5-methyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]-9-oxo-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)OC1NC2=CC=CC=C2N1CCCN3CCC(CC3)N4C5=C(C=C(C=C5)Cl)NC4=O

DOS

IR

Vibrations