Geometry & MOs

Info

ID:

104060

PubChem CID:

50087114

Reduced:

F2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-218.12

Dipole, Da:

7.34

IP(EA), eV:

 -8.81(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations