Geometry & MOs

Info

ID:

223865

PubChem CID:

85335676

Reduced:

N7O9C28H39 (1)

Stoich.:

A7B9C28D39 (1)

Weight, g/mol:

617.178344

ΔHf, kcal/mol:

-397.23

Dipole, Da:

13.45

IP(EA), eV:

 -9.17(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,6-dichlorophenyl)-3-methyl-N-[3-methyl-1-oxo-1-[2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)N)NC(=O)CNC(=O)C1C(CCN1C(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)NC(=O)C)O

DOS

IR

Vibrations