Geometry & MOs

Info

ID:

104171

PubChem CID:

50096435

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-271.89

Dipole, Da:

13.32

IP(EA), eV:

 -8.78(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations