Geometry & MOs

Info

ID:	162026
PubChem CID:	57393384
Reduced:	NSO6H19C20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	495.168188
ΔH_f, kcal/mol:	-199.22
Dipole, Da:	4.05
IP(EA), eV:	-8.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,17S,18S,19S)-18-benzoyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl] benzoate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1OC(=O)C)C4=CC5=C(C=C4C3=S)OCO5

DOS

IR

Vibrations