Geometry & MOs

Info

ID:	136266
PubChem CID:	52009369
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-11.26
Dipole, Da:	3.04
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C2=CC=CC=C2S1)C)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations