Geometry & MOs

Info

ID:	186356
PubChem CID:	77423991
Reduced:	SN5O6H31C32 (1)
Stoich.:	AB5C6D31E32 (1)
Weight, g/mol:	507.299811
ΔH_f, kcal/mol:	-89.0
Dipole, Da:	4.16
IP(EA), eV:	-8.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-oxa-1,6-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosane

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)OCC5COC(O5)(C)C)C#N

DOS

IR

Vibrations