Geometry & MOs

Info

ID:	34527
PubChem CID:	7978628
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	420.135508
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	4.87
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C(C)C)Cl

DOS

IR

Vibrations