Geometry & MOs

Info

ID:	419043
PubChem CID:	135107379
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	515.253255
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	6.67
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-benzoyl-6-(5-phenyl-1,2-oxazole-3-carbonyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations