Geometry & MOs

Info

ID:

113330

PubChem CID:

50440594

Reduced:

F2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

548.1423

ΔHf, kcal/mol:

-224.98

Dipole, Da:

4.17

IP(EA), eV:

 -8.86(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations