Geometry & MOs

Info

ID:	238447
PubChem CID:	92741232
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	3.56
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3=CC=C(N3C[C@]2(C)C(=O)NC4CCCC4)C5=CC=CO5)C

DOS

IR

Vibrations