Geometry & MOs

Info

ID:

118386

PubChem CID:

50640876

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

599.267461

ΔHf, kcal/mol:

-187.14

Dipole, Da:

7.58

IP(EA), eV:

 -8.33(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4C)C

DOS

IR

Vibrations