Geometry & MOs

Info

ID:	56916
PubChem CID:	22394875
Reduced:	NF2O4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	514.286529
ΔH_f, kcal/mol:	-281.85
Dipole, Da:	2.89
IP(EA), eV:	-10.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCCC(C(CNC(=O)OCC1=CC(=CC(=C1)F)F)O)O

DOS

IR

Vibrations