Geometry & MOs

Info

ID:	44214
PubChem CID:	10502034
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	416.12936
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	3.02
IP(EA), eV:	-8.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,7R,9S,10R,12S)-9-methoxy-4,12-diphenyl-3,5,8,11,15-pentaoxa-13-thiatricyclo[8.5.0.02,7]pentadecane

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)NC4=CC=C(C=C4)C)C5=CC=CC=C5)O)O

DOS

IR

Vibrations