Geometry & MOs

Info

ID:	136278
PubChem CID:	52010643
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	4.47
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2S)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2O[C@](C1=O)(C)C(=O)N(C)CC3=CC=CS3

DOS

IR

Vibrations