Geometry & MOs

Info

ID:

97963

PubChem CID:

50037377

Reduced:

F2O5N6C39H48 (1)

Stoich.:

A2B5C6D39E48 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-287.58

Dipole, Da:

5.48

IP(EA), eV:

 -8.11(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations