Geometry & MOs

Info

ID:	67507
PubChem CID:	46506604
Reduced:	OSN2F3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	403.16444
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	4.98
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[1-methyl-6-(4-methylphenyl)-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC12CC(C3=C(O1)C=CC(=C3)F)NC(=S)N2C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations