Geometry & MOs

Info

ID:

99534

PubChem CID:

50051015

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-284.57

Dipole, Da:

11.97

IP(EA), eV:

 -8.86(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations