Geometry & MOs

Info

ID:	238449
PubChem CID:	92741236
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	495.11575
ΔH_f, kcal/mol:	-53.05
Dipole, Da:	3.36
IP(EA), eV:	-8.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-(4-bromo-3-methylphenyl)-N-cyclopentyl-6-(furan-2-yl)-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(=CC=C3)SC)C4=CC=CO4)C(=O)NC5CCCC5

DOS

IR

Vibrations