Geometry & MOs

Info

ID:

104222

PubChem CID:

50096700

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-242.94

Dipole, Da:

7.16

IP(EA), eV:

 -8.24(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[3-[(3-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C)C

DOS

IR

Vibrations