Geometry & MOs

Info

ID:	238370
PubChem CID:	92740990
Reduced:	SO2N4C24H34 (1)
Stoich.:	AB2C4D24E34 (1)
Weight, g/mol:	442.240248
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	2.12
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-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

CC(C)CCNC(=O)[C@@]1(CN2C(=CC(=N2)C(C)(C)C)C(=O)N1C3=CC(=CC=C3)SC)C

DOS

IR

Vibrations