Geometry & MOs

Info

ID:

112592

PubChem CID:

50412586

Reduced:

O5N6C37H54 (1)

Stoich.:

A5B6C37D54 (1)

Weight, g/mol:

571.297011

ΔHf, kcal/mol:

-245.83

Dipole, Da:

5.17

IP(EA), eV:

 -8.82(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)CC)C

DOS

IR

Vibrations