Geometry & MOs

Info

ID:	170115
PubChem CID:	75198279
Reduced:	N3O4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	345.135842
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	1.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.904655
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=O)C(=C=CC(=O)NCC2=CC=CO2)C=[N+](C1=O)C

DOS

IR

Vibrations