Geometry & MOs

Info

ID:

97030

PubChem CID:

50026892

Reduced:

FN3O3C18H21 (2)

Stoich.:

AB3C3D18E21 (2)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-301.78

Dipole, Da:

8.92

IP(EA), eV:

 -8.47(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C(C)C

DOS

IR

Vibrations