Geometry & MOs

Info

ID:

113066

PubChem CID:

50430609

Reduced:

FO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

698.379183

ΔHf, kcal/mol:

-222.5

Dipole, Da:

2.56

IP(EA), eV:

 -8.92(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methoxy-5-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations