Geometry & MOs

Info

ID:	444668
PubChem CID:	135263173
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	471.215806
ΔH_f, kcal/mol:	-51.15
Dipole, Da:	0.56
IP(EA), eV:	-8.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]-2-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

Drug info:

PubChemData

Smile

CCSC1=NC2=C(N1)C=C(C=C2)CC(=O)OC

DOS

IR

Vibrations