Geometry & MOs

Info

ID:	446306
PubChem CID:	135273930
Reduced:	O3N6C27H34 (1)
Stoich.:	A3B6C27D34 (1)
Weight, g/mol:	323.076871
ΔH_f, kcal/mol:	-34.07
Dipole, Da:	5.01
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3O)[C@H]4CCOC4)N(N=C2)C5=CC(=NC(=N5)C)N6CC7CC6CO7

DOS

IR

Vibrations