Geometry & MOs

Info

ID:

99231

PubChem CID:

50049196

Reduced:

ClFO5N6C38H38 (1)

Stoich.:

ABC5D6E38F38 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-190.12

Dipole, Da:

3.88

IP(EA), eV:

 -8.8(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-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(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations