Geometry & MOs

Info

ID:

106201

PubChem CID:

50152509

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

650.379183

ΔHf, kcal/mol:

-266.23

Dipole, Da:

2.88

IP(EA), eV:

 -8.28(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-methoxy-4-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations