Geometry & MOs

Info

ID:	137152
PubChem CID:	52159585
Reduced:	ClO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	362.114568
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	2.68
IP(EA), eV:	-8.86(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-chloro-2-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)NC2=C(O1)C=CC(=C2)Cl)C(=O)NC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations