Geometry & MOs

Info

ID:

110582

PubChem CID:

50331146

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

618.260211

ΔHf, kcal/mol:

-181.78

Dipole, Da:

6.38

IP(EA), eV:

 -8.56(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5F)C

DOS

IR

Vibrations