Geometry & MOs

Info

ID:	135102
PubChem CID:	51814478
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	360.277678
ΔH_f, kcal/mol:	-191.78
Dipole, Da:	2.19
IP(EA), eV:	-9.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-propylhexanamide

Drug info:

PubChemData

Smile

CCCN([C@@H](/C=C\C)C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)CO

DOS

IR

Vibrations