Geometry & MOs

Info

ID:

238484

PubChem CID:

92741442

Reduced:

N3O3C29H35 (1)

Stoich.:

A3B3C29D35 (1)

Weight, g/mol:

475.247107

ΔHf, kcal/mol:

-77.98

Dipole, Da:

6.37

IP(EA), eV:

 -8.68(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CCCC4=CC=CC=C4)C5=CC=CO5)C

DOS

IR

Vibrations