Geometry & MOs

Info

ID:	195447
PubChem CID:	78686968
Reduced:	SN2O6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	337.073242
ΔH_f, kcal/mol:	-178.12
Dipole, Da:	6.16
IP(EA), eV:	-8.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N)OC

DOS

IR

Vibrations