Geometry & MOs

Info

ID:	420947
PubChem CID:	135115111
Reduced:	N6C13H20 (1)
Stoich.:	A6B13C20 (1)
Weight, g/mol:	370.119858
ΔH_f, kcal/mol:	49.66
Dipole, Da:	5.35
IP(EA), eV:	-8.37(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N(C)C)NCCC2=NC=CN2

DOS

IR

Vibrations