Geometry & MOs

Info

ID:

104121

PubChem CID:

50091878

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

718.347883

ΔHf, kcal/mol:

-205.29

Dipole, Da:

9.24

IP(EA), eV:

 -8.63(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)CC5=CC=C(C=C5)F)C

DOS

IR

Vibrations