Geometry & MOs

Info

ID:	426239
PubChem CID:	135142916
Reduced:	ON7H13C14 (1)
Stoich.:	AB7C13D14 (1)
Weight, g/mol:	425.163394
ΔH_f, kcal/mol:	61.87
Dipole, Da:	6.17
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]ethanesulfonamide

Drug info:

PubChemData

Smile

C1=CNC2=NC=C3C(=C21)N=C(N3)CC(=O)NCC4=NC=CN4

DOS

IR

Vibrations