Geometry & MOs

Info

ID:

114911

PubChem CID:

50501672

Reduced:

Cl2O5N6C36H46 (1)

Stoich.:

A2B5C6D36E46 (1)

Weight, g/mol:

693.2326

ΔHf, kcal/mol:

-220.93

Dipole, Da:

5.59

IP(EA), eV:

 -8.96(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations