Geometry & MOs

Info

ID:	238387
PubChem CID:	92741015
Reduced:	ClN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	479.197569
ΔH_f, kcal/mol:	-69.16
Dipole, Da:	5.4
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations