Geometry & MOs

Info

ID:

112681

PubChem CID:

50416042

Reduced:

ClF2O5N6H37C38 (1)

Stoich.:

AB2C5D6E37F38 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-237.75

Dipole, Da:

6.59

IP(EA), eV:

 -8.78(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-chloro-2-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations