Geometry & MOs

Info

ID:

104777

PubChem CID:

50105449

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

732.381075

ΔHf, kcal/mol:

-280.66

Dipole, Da:

13.36

IP(EA), eV:

 -8.94(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5C)F

DOS

IR

Vibrations