Geometry & MOs

Info

ID:	227488
PubChem CID:	87561841
Reduced:	S3C8O9H10 (1)
Stoich.:	A3B8C9D10 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-335.99
Dipole, Da:	5.26
IP(EA), eV:	-10.97(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations