Geometry & MOs

Info

ID:	238456
PubChem CID:	92741248
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	5.65
IP(EA), eV:	-8.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)C3=CC=C(N3C[C@]2(C)C(=O)NC4CCCC4)C5=CC=CO5

DOS

IR

Vibrations