Geometry & MOs

Info

ID:

117207

PubChem CID:

50594912

Reduced:

ClF2N6O6C36H39 (1)

Stoich.:

AB2C6D6E36F39 (1)

Weight, g/mol:

720.283839

ΔHf, kcal/mol:

-296.73

Dipole, Da:

6.7

IP(EA), eV:

 -9.07(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations