Geometry & MOs

Info

ID:

103277

PubChem CID:

50071389

Reduced:

ClF2O5N6C41H43 (1)

Stoich.:

AB2C5D6E41F43 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-251.99

Dipole, Da:

21.95

IP(EA), eV:

 -8.73(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[3-methyl-4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5Cl)C

DOS

IR

Vibrations