Geometry & MOs

Info

ID:

441719

PubChem CID:

135241874

Reduced:

SN3F5O6H32C36 (1)

Stoich.:

AB3C5D6E32F36 (1)

Weight, g/mol:

463.100037

ΔHf, kcal/mol:

-316.86

Dipole, Da:

5.29

IP(EA), eV:

 -9.38(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

Drug info:

PubChemData

Smile

C1CN(C1C(=O)N(CC2=CC=C(C=C2)C3CCOCC3)C4=CC=C(C=C4)C(=O)NOCC5=CC=CC=C5)S(=O)(=O)C6=C(C(=C(C(=C6F)F)F)F)F

DOS

IR

Vibrations