Geometry & MOs

Info

ID:	85269
PubChem CID:	49873340
Reduced:	N5C15H19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	499.169641
ΔH_f, kcal/mol:	65.5
Dipole, Da:	3.58
IP(EA), eV:	-8.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(3aS,9bR)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]cyclohexyl]-4-chlorobenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CC=C2)C3=C(N=C(N=N3)N)N

DOS

IR

Vibrations