Geometry & MOs

Info

ID:

95615

PubChem CID:

50010733

Reduced:

FN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

543.14812

ΔHf, kcal/mol:

-202.67

Dipole, Da:

14.5

IP(EA), eV:

 -8.83(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-3-carbamoylphenyl)-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)OC

DOS

IR

Vibrations