Geometry & MOs

Info

ID:

98238

PubChem CID:

50041055

Reduced:

ClF2O5N6C40H41 (1)

Stoich.:

AB2C5D6E40F41 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-250.68

Dipole, Da:

5.91

IP(EA), eV:

 -8.48(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-chloroanilino)-1-oxopropan-2-yl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)Cl

DOS

IR

Vibrations