Geometry & MOs

Info

ID:

106651

PubChem CID:

50171478

Reduced:

F2O5N6C41H50 (1)

Stoich.:

A2B5C6D41E50 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-290.56

Dipole, Da:

6.8

IP(EA), eV:

 -8.88(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations