Geometry & MOs

Info

ID:	36245
PubChem CID:	7982366
Reduced:	ClSO2N5C18H20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	344.104003
ΔH_f, kcal/mol:	-5.93
Dipole, Da:	8.22
IP(EA), eV:	-8.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NC3(CCCCC3)C#N

DOS

IR

Vibrations