Geometry & MOs

Info

ID:	35445
PubChem CID:	7979880
Reduced:	S2N3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	408.108814
ΔH_f, kcal/mol:	-121.69
Dipole, Da:	6.81
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC=CS3

DOS

IR

Vibrations