Geometry & MOs

Info

ID:	238402
PubChem CID:	92741040
Reduced:	FN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	3.29
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations