Geometry & MOs

Info

ID:	238385
PubChem CID:	92741010
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	465.181919
ΔH_f, kcal/mol:	-63.51
Dipole, Da:	2.91
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[(2-chlorophenyl)methyl]-N-cyclohexyl-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)N1CC3=CC=CC=C3)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations