Geometry & MOs

Info

ID:	230804
PubChem CID:	87572033
Reduced:	N2S2O7H14C20 (1)
Stoich.:	A2B2C7D14E20 (1)
Weight, g/mol:	472.149518
ΔH_f, kcal/mol:	-166.88
Dipole, Da:	8.49
IP(EA), eV:	-9.29(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]amino]-N,7-dioxobicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2N/N=C\3/C=C(C4=CC=CC=C4C3=O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations