Geometry & MOs

Info

ID:	187963
PubChem CID:	77648917
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	499.18894
ΔH_f, kcal/mol:	41.49
Dipole, Da:	6.35
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-methoxy-4-(4-oxopiperidin-1-yl)sulfonylphenyl]-1-methyl-3-phenyl-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C2C(C(=O)NC(N2)C3=CC=CC=C3)N(N1)C4=CC=CC=C4

DOS

IR

Vibrations