Geometry & MOs

Info

ID:	420272
PubChem CID:	135112166
Reduced:	NO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	561.295119
ΔH_f, kcal/mol:	-215.49
Dipole, Da:	5.17
IP(EA), eV:	-9.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-7-benzoyl-9-benzyl-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

CC(C)(C(=O)N1CC[C@]([C@H](C1)O)(CC2=CC=CC=C2)C(=O)O)OC

DOS

IR

Vibrations