Geometry & MOs

Info

ID:	238439
PubChem CID:	92741206
Reduced:	FN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	4.12
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1C3=CC=C(C=C3)F)C4=CC=CO4)C(=O)NC5CCCC5

DOS

IR

Vibrations