Geometry & MOs

Info

ID:	238403
PubChem CID:	92741043
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	2.05
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=CC=C(N2C[C@@]1(C)C(=O)NC3CCCCC3)C4=CC=CO4)C5=CC=CC=C5

DOS

IR

Vibrations