Geometry & MOs

Info

ID:

114080

PubChem CID:

50470827

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

744.399919

ΔHf, kcal/mol:

-270.15

Dipole, Da:

8.16

IP(EA), eV:

 -8.56(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F)C)F

DOS

IR

Vibrations