Geometry & MOs

Info

ID:	73624
PubChem CID:	48419534
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	391.083806
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	9.07
IP(EA), eV:	-8.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[3-[[2-(4-nitrophenyl)sulfinylacetyl]amino]phenoxy]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations