Geometry & MOs

Info

ID:

109889

PubChem CID:

50300694

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-248.99

Dipole, Da:

13.48

IP(EA), eV:

 -8.64(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=CC(=C(C=C5)C)F)C)F

DOS

IR

Vibrations