Geometry & MOs

Info

ID:

95866

PubChem CID:

50015996

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

633.312661

ΔHf, kcal/mol:

-186.7

Dipole, Da:

8.18

IP(EA), eV:

 -8.5(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)C

DOS

IR

Vibrations