Geometry & MOs

Info

ID:

95045

PubChem CID:

50006004

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-213.66

Dipole, Da:

9.43

IP(EA), eV:

 -9.11(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations