Geometry & MOs

Info

ID:

112990

PubChem CID:

50428602

Reduced:

BrO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-119.7

Dipole, Da:

6.97

IP(EA), eV:

 -8.76(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4Br)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations