Geometry & MOs

Info

ID:	36243
PubChem CID:	7982326
Reduced:	ClFSO2N4H16C18 (1)
Stoich.:	ABCD2E4F16G18 (1)
Weight, g/mol:	345.111829
ΔH_f, kcal/mol:	-44.21
Dipole, Da:	7.47
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,5R,6R)-2-amino-6-(4-chlorophenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)F)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations