Geometry & MOs

Info

ID:

98459

PubChem CID:

50044353

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

724.295152

ΔHf, kcal/mol:

-268.33

Dipole, Da:

6.98

IP(EA), eV:

 -9.07(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations