Geometry & MOs

Info

ID:

105810

PubChem CID:

50139592

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-219.26

Dipole, Da:

8.41

IP(EA), eV:

 -9.13(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations