Geometry & MOs

Info

ID:	416371
PubChem CID:	135089384
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	564.306018
ΔH_f, kcal/mol:	-64.44
Dipole, Da:	2.0
IP(EA), eV:	-9.2(-0.28)
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-3-carbonyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)OC

DOS

IR

Vibrations