Geometry & MOs

Info

ID:

115647

PubChem CID:

50529920

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-268.32

Dipole, Da:

8.84

IP(EA), eV:

 -8.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations