Geometry & MOs

Info

ID:	238504
PubChem CID:	92741584
Reduced:	ClN3O3H24C27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	487.166269
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	6.43
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CC3=CC=CC=C3)C4=CC=CO4)C(=O)NCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations