Geometry & MOs

Info

ID:	35980
PubChem CID:	7980593
Reduced:	N3O5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	349.11365
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	5.06
IP(EA), eV:	-8.7(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylphenoxy)phenyl]-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations