Geometry & MOs

Info

ID:

113499

PubChem CID:

50448353

Reduced:

ClN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-171.24

Dipole, Da:

5.05

IP(EA), eV:

 -8.77(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)OC)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations