Geometry & MOs

Info

ID:

98304

PubChem CID:

50042521

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-248.56

Dipole, Da:

4.76

IP(EA), eV:

 -9.13(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2,5-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-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)NCCC(=O)NC4=CC=C(C=C4)C(=O)NC

DOS

IR

Vibrations