Geometry & MOs

Info

ID:

180740

PubChem CID:

76679220

Reduced:

N4O6C43H58 (1)

Stoich.:

A4B6C43D58 (1)

Weight, g/mol:

718.466936

ΔHf, kcal/mol:

-216.77

Dipole, Da:

2.57

IP(EA), eV:

 -9.24(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-N-[1-[3-cyclohexyl-2-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-4-pyrazin-2-ylbutanamide

Drug info:

PubChemData

Smile

CCCC(CC(=O)C1C(CCN1C(=O)C(CC(=O)C(C2CCCCC2)NC(=O)C3=NC=CN=C3)C(C)(C)C)CC4=CC=CC=C4)C(=O)C(=O)CC5CC5

DOS

IR

Vibrations