Geometry & MOs

Info

ID:

109360

PubChem CID:

50281792

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-225.14

Dipole, Da:

6.17

IP(EA), eV:

 -8.88(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations