Geometry & MOs

Info

ID:

99358

PubChem CID:

50050179

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-259.13

Dipole, Da:

4.51

IP(EA), eV:

 -8.47(-0.54)

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-[3-[(4-fluorophenyl)methylcarbamoyl]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=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations