Geometry & MOs

Info

ID:	68361
PubChem CID:	46508260
Reduced:	FO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	394.013868
ΔH_f, kcal/mol:	-41.96
Dipole, Da:	2.83
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloropyridin-2-yl)sulfanyl-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)C3=COC=C3

DOS

IR

Vibrations