Geometry & MOs

Info

ID:	237961
PubChem CID:	92723143
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	10.93
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCCCC1)N2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations