Geometry & MOs

Info

ID:	401586
PubChem CID:	135051736
Reduced:	NSO2H17C20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	16.35
Dipole, Da:	7.36
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)-4-phenylmethoxybutan-1-imine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NC2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations