Geometry & MOs

Info

ID:	131260
PubChem CID:	51182803
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	8.74
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-morpholin-4-ylanilino)-N-(3-phenylpropyl)acetamide

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

DOS

IR

Vibrations