Geometry & MOs

Info

ID:	417982
PubChem CID:	135103215
Reduced:	NSO4C14H25 (1)
Stoich.:	ABC4D14E25 (1)
Weight, g/mol:	623.348298
ΔH_f, kcal/mol:	-200.54
Dipole, Da:	3.6
IP(EA), eV:	-9.32(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-14-[4-(4-fluorophenyl)butanoyl]-5-methyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CCS(=O)(=O)C

DOS

IR

Vibrations