Geometry & MOs

Info

ID:	192940
PubChem CID:	78326414
Reduced:	O13C30H36 (1)
Stoich.:	A13B30C36 (1)
Weight, g/mol:	243.04261
ΔH_f, kcal/mol:	-541.03
Dipole, Da:	3.69
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-oxo-1,2-dihydropurine-2-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2CCC3C(C2)C(=O)C(=CO3)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations