Geometry & MOs

Info

ID:

112556

PubChem CID:

50411530

Reduced:

F3O4N5C31H32 (1)

Stoich.:

A3B4C5D31E32 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-263.55

Dipole, Da:

0.77

IP(EA), eV:

 -8.84(-0.65)

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-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)F)F

DOS

IR

Vibrations