Geometry & MOs

Info

ID:

114699

PubChem CID:

50493461

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-183.33

Dipole, Da:

3.57

IP(EA), eV:

 -8.76(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations