Geometry & MOs

Info

ID:

114965

PubChem CID:

50503586

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-238.63

Dipole, Da:

12.19

IP(EA), eV:

 -8.72(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)C)F)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations