Geometry & MOs

Info

ID:	137154
PubChem CID:	52159609
Reduced:	ClN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	4.06
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations