Geometry & MOs

Info

ID:	190732
PubChem CID:	78049706
Reduced:	SN5O9C18H29 (1)
Stoich.:	AB5C9D18E29 (1)
Weight, g/mol:	421.135031
ΔH_f, kcal/mol:	-341.96
Dipole, Da:	4.36
IP(EA), eV:	-9.55(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-fluoro-3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-1,4a-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O

DOS

IR

Vibrations