Geometry & MOs

Info

ID:	415030
PubChem CID:	135088010
Reduced:	FNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	564.306018
ΔH_f, kcal/mol:	-206.13
Dipole, Da:	7.11
IP(EA), eV:	-9.22(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)CN2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations