Geometry & MOs

Info

ID:	308320
PubChem CID:	125326128
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	395.170588
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	3.97
IP(EA), eV:	-9.58(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(3R)-5-methyl-2-[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydropyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NCCC1=CC=CC=C1)S[C@H]2C(=O)NC(=O)N=N2

DOS

IR

Vibrations