Geometry & MOs

Info

ID:	30054
PubChem CID:	839369
Reduced:	NSCl2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	313.095023
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	4.71
IP(EA), eV:	-9.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-(phenoxymethyl)-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC[C@H]2CCCO2

DOS

IR

Vibrations