Geometry & MOs

Info

ID:	423148
PubChem CID:	135119010
Reduced:	FO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	543.305684
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	3.23
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-(3-methoxypropanoyl)-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2CC2)NC(=O)CCNC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations