Geometry & MOs

Info

ID:

115098

PubChem CID:

50509335

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

656.308911

ΔHf, kcal/mol:

-282.33

Dipole, Da:

5.27

IP(EA), eV:

 -9.06(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations