Geometry & MOs

Info

ID:

94877

PubChem CID:

50004554

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-217.34

Dipole, Da:

4.91

IP(EA), eV:

 -8.42(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-methoxybenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations