Geometry & MOs

Info

ID:	301918
PubChem CID:	123100627
Reduced:	S2N4O4C17H20 (1)
Stoich.:	A2B4C4D17E20 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-84.14
Dipole, Da:	3.6
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[1-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]sulfinylacetamide

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NN=C(S2)NC(=O)CS(=O)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations