Geometry & MOs

Info

ID:

99420

PubChem CID:

50050704

Reduced:

ClF2O4N5C30H30 (1)

Stoich.:

AB2C4D5E30F30 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-210.58

Dipole, Da:

4.86

IP(EA), eV:

 -9.16(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC

DOS

IR

Vibrations