Geometry & MOs

Info

ID:	127229
PubChem CID:	50995329
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	440.107831
ΔH_f, kcal/mol:	-5.93
Dipole, Da:	9.35
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-4-(methoxyamino)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)C(=O)NCC3=CSC(=N3)N)[C@@H](C4=CN=CC=C4)O

DOS

IR

Vibrations