Geometry & MOs

Info

ID:	238442
PubChem CID:	92741217
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-60.18
Dipole, Da:	2.32
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NC4CCCC4)C5=CC=CO5

DOS

IR

Vibrations