Geometry & MOs

Info

ID:	238433
PubChem CID:	92741161
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	6.36
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CC4=CC=CC=C4C)C5=CC=CO5)C

DOS

IR

Vibrations