Geometry & MOs

Info

ID:	304386
PubChem CID:	124574960
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-25.4
Dipole, Da:	5.73
IP(EA), eV:	-8.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-4-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CNC[C@@H]1CCCN1S(=O)(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations