Geometry & MOs

Info

ID:	238389
PubChem CID:	92741017
Reduced:	ClN3O3C27H30 (1)
Stoich.:	AB3C3D27E30 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	7.03
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CCC3=CC=C(C=C3)Cl)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations