Geometry & MOs

Info

ID:

112742

PubChem CID:

50417531

Reduced:

ClF2O5N6H37C38 (1)

Stoich.:

AB2C5D6E37F38 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-240.27

Dipole, Da:

9.0

IP(EA), eV:

 -8.99(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations