Geometry & MOs

Info

ID:

98019

PubChem CID:

50038034

Reduced:

F3O4N5H36C37 (1)

Stoich.:

A3B4C5D36E37 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-237.67

Dipole, Da:

5.09

IP(EA), eV:

 -8.91(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations