Geometry & MOs

Info

ID:

109203

PubChem CID:

50276522

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

718.347883

ΔHf, kcal/mol:

-237.37

Dipole, Da:

7.34

IP(EA), eV:

 -8.68(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)C)F)C)F

DOS

IR

Vibrations