Geometry & MOs

Info

ID:	297199
PubChem CID:	117612769
Reduced:	O4N5C26H27 (1)
Stoich.:	A4B5C26D27 (1)
Weight, g/mol:	509.209676
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	4.79
IP(EA), eV:	-8.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[3-[4-(2,2-dimethylcyclopentyl)sulfonylanilino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]oxan-3-yl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C(=N2)C4=NC=CC(=C4)COC=O)C(=NC=C3)NC5CCOCC5

DOS

IR

Vibrations