Geometry & MOs

Info

ID:

108981

PubChem CID:

50267073

Reduced:

ClF2N6O6C36H39 (1)

Stoich.:

AB2C6D6E36F39 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-299.97

Dipole, Da:

10.2

IP(EA), eV:

 -8.97(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations