Geometry & MOs

Info

ID:

113952

PubChem CID:

50466008

Reduced:

ClF4O4N5C33H34 (1)

Stoich.:

AB4C4D5E33F34 (1)

Weight, g/mol:

655.260626

ΔHf, kcal/mol:

-343.49

Dipole, Da:

5.96

IP(EA), eV:

 -9.0(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorobenzoyl)amino]-4-methoxyphenyl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations