Geometry & MOs

Info

ID:

118031

PubChem CID:

50625033

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

538.195853

ΔHf, kcal/mol:

-184.87

Dipole, Da:

6.49

IP(EA), eV:

 -8.68(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]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)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)N)Cl

DOS

IR

Vibrations