Geometry & MOs

Info

ID:	238498
PubChem CID:	92741524
Reduced:	SN3O3C26H31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-63.81
Dipole, Da:	6.25
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CC4=CC=CS4)C5=CC=CO5)C

DOS

IR

Vibrations