Geometry & MOs

Info

ID:	238394
PubChem CID:	92741025
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	475.210721
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	6.93
IP(EA), eV:	-8.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(1,3-benzodioxol-5-ylmethyl)-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)N1CCCC3=CC=CC=C3)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations