Geometry & MOs

Info

ID:

105750

PubChem CID:

50139366

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-241.03

Dipole, Da:

5.85

IP(EA), eV:

 -8.82(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,4-difluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations