Geometry & MOs

Info

ID:

117424

PubChem CID:

50602457

Reduced:

ClO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-166.47

Dipole, Da:

12.65

IP(EA), eV:

 -8.59(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)N)Cl

DOS

IR

Vibrations