Geometry & MOs

Info

ID:	135087
PubChem CID:	51811824
Reduced:	S2N3O4C24H33 (1)
Stoich.:	A2B3C4D24E33 (1)
Weight, g/mol:	436.239579
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	1.7
IP(EA), eV:	-8.22(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-propyl-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC=C(C=C1)N(C)C)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)CCS

DOS

IR

Vibrations