Geometry & MOs

Info

ID:

113910

PubChem CID:

50463548

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

752.326453

ΔHf, kcal/mol:

-284.86

Dipole, Da:

6.67

IP(EA), eV:

 -8.52(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations