Geometry & MOs

Info

ID:	237683
PubChem CID:	92720657
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-41.32
Dipole, Da:	4.72
IP(EA), eV:	-8.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-(cycloheptylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C=C1C(=O)N3CCC(CC3)C(=O)N[C@H]4CCCC5=CC=CC=C45)SC=C2

DOS

IR

Vibrations