Geometry & MOs

Info

ID:

111208

PubChem CID:

50357468

Reduced:

BrO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

622.327897

ΔHf, kcal/mol:

-205.85

Dipole, Da:

7.56

IP(EA), eV:

 -8.75(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC(C)C)C(=O)N4CCCC4

DOS

IR

Vibrations