Geometry & MOs

Info

ID:

181980

PubChem CID:

76822489

Reduced:

N2S2O7H30C34 (1)

Stoich.:

A2B2C7D30E34 (1)

Weight, g/mol:

622.295534

ΔHf, kcal/mol:

-197.7

Dipole, Da:

5.81

IP(EA), eV:

 -8.97(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[3-(4-fluorobenzoyl)-5-pyrrolidin-1-ylphenyl]methyl]-5-(2-methyl-5-propanoylphenyl)-3-oxopyrazin-2-yl]-2-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)CC(CC3=CC=C(C=C3)O)C(=O)NCC(C(=O)CCC(=O)O)NC(=O)C4=CC5=CC=CC=C5S4

DOS

IR

Vibrations