Geometry & MOs

Info

ID:	174000
PubChem CID:	75711638
Reduced:	SN2O4C27H46 (1)
Stoich.:	AB2C4D27E46 (1)
Weight, g/mol:	531.309707
ΔH_f, kcal/mol:	-221.89
Dipole, Da:	5.87
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(tert-butylamino)-1-(2-methoxynaphthalen-1-yl)-2-oxoethyl]-hexylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(CCCCC)C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)CCCCC

DOS

IR

Vibrations