Geometry & MOs

Info

ID:

103740

PubChem CID:

50072604

Reduced:

BrO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

661.283111

ΔHf, kcal/mol:

-164.65

Dipole, Da:

8.99

IP(EA), eV:

 -8.47(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)C(=O)NC

DOS

IR

Vibrations