Geometry & MOs

Info

ID:

114934

PubChem CID:

50502139

Reduced:

ClF2O4N5C30H30 (1)

Stoich.:

AB2C4D5E30F30 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-218.54

Dipole, Da:

3.75

IP(EA), eV:

 -8.96(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)F

DOS

IR

Vibrations