Geometry & MOs

Info

ID:	237571
PubChem CID:	92719784
Reduced:	N2O7C13H14 (1)
Stoich.:	A2B7C13D14 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-285.72
Dipole, Da:	5.37
IP(EA), eV:	-10.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@@H]([C@@H](C(=O)O2)OC(=O)C)O[C@H]1N3C=CC(=O)NC3=O

DOS

IR

Vibrations