Geometry & MOs

Info

ID:	233865
PubChem CID:	92098554
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	483.0906
ΔH_f, kcal/mol:	23.4
Dipole, Da:	3.01
IP(EA), eV:	-9.35(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C=CC2=CC=CS2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations