Geometry & MOs

Info

ID:	238413
PubChem CID:	92741065
Reduced:	SN3O3C25H29 (1)
Stoich.:	AB3C3D25E29 (1)
Weight, g/mol:	491.224263
ΔH_f, kcal/mol:	-62.09
Dipole, Da:	4.9
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CCC3=CC=CS3)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations