Geometry & MOs

Info

ID:	137153
PubChem CID:	52159586
Reduced:	ClO3N4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	345.088019
ΔH_f, kcal/mol:	-78.43
Dipole, Da:	4.17
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-chloro-2-methyl-3-oxo-N-[(1R)-1-pyridin-4-ylethyl]-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)[C@@]2(C(=O)NC3=C(O2)C=CC(=C3)Cl)C)C(C)C

DOS

IR

Vibrations