Geometry & MOs

Info

ID:	158336
PubChem CID:	56463435
Reduced:	SN4O4C19H28 (1)
Stoich.:	AB4C4D19E28 (1)
Weight, g/mol:	399.111647
ΔH_f, kcal/mol:	-154.87
Dipole, Da:	4.26
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)C(=O)C(=O)N3CCOCC3

DOS

IR

Vibrations