Geometry & MOs

Info

ID:

114598

PubChem CID:

50489540

Reduced:

F2O4N5C34H37 (1)

Stoich.:

A2B4C5D34E37 (1)

Weight, g/mol:

682.347883

ΔHf, kcal/mol:

-213.7

Dipole, Da:

10.35

IP(EA), eV:

 -8.88(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-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=C(C=C4)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations