Geometry & MOs

Info

ID:

441725

PubChem CID:

135242036

Reduced:

Cl2O2N7H23C24 (1)

Stoich.:

A2B2C7D23E24 (1)

Weight, g/mol:

459.160807

ΔHf, kcal/mol:

33.26

Dipole, Da:

6.35

IP(EA), eV:

 -9.25(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-8-[7-(2-amino-3-chloropyridin-4-yl)sulfanyl-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)O)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=C(C(=CC=C4)Cl)Cl)N

DOS

IR

Vibrations