Geometry & MOs

Info

ID:	125308
PubChem CID:	50919133
Reduced:	BrSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	369.122575
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	3.77
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,5S,8R)-6-imino-1-methyl-8-phenyl-3-pyridin-3-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2NC(=O)CN(C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations