Geometry & MOs

Info

ID:

117540

PubChem CID:

50606581

Reduced:

Cl2O3N4C29H30 (1)

Stoich.:

A2B3C4D29E30 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-92.48

Dipole, Da:

5.9

IP(EA), eV:

 -8.76(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)C)Cl

DOS

IR

Vibrations