Geometry & MOs

Info

ID:	419136
PubChem CID:	135107584
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	562.290368
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	8.26
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)O)C5=C1SC=C5

DOS

IR

Vibrations