Geometry & MOs

Info

ID:	238369
PubChem CID:	92740989
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	442.240248
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	1.5
IP(EA), eV:	-9.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=CC(=NN3C[C@@]2(C)C(=O)NCCC(C)C)C(C)(C)C

DOS

IR

Vibrations