Geometry & MOs

Info

ID:	175697
PubChem CID:	75938502
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	388.095663
ΔH_f, kcal/mol:	-60.9
Dipole, Da:	6.08
IP(EA), eV:	-8.64(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenoxy)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2CC(=O)N3C=CSC3N2)C(=O)C4C=CC(=NC4=O)C5=CC=CO5

DOS

IR

Vibrations