Geometry & MOs

Info

ID:

105993

PubChem CID:

50145543

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-269.46

Dipole, Da:

7.75

IP(EA), eV:

 -8.78(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations