Geometry & MOs

Info

ID:	184963
PubChem CID:	77235446
Reduced:	NSO6C15H25 (1)
Stoich.:	ABC6D15E25 (1)
Weight, g/mol:	421.246438
ΔH_f, kcal/mol:	-306.54
Dipole, Da:	8.96
IP(EA), eV:	-9.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]methyl]-3-[3-(2-methylpropyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC(=O)OC(C)OC(=O)NCC(C(=O)O)SC1CCCCC1

DOS

IR

Vibrations