Geometry & MOs

Info

ID:

94924

PubChem CID:

50004951

Reduced:

N3O3C17H20 (2)

Stoich.:

A3B3C17D20 (2)

Weight, g/mol:

684.26348

ΔHf, kcal/mol:

-203.38

Dipole, Da:

2.65

IP(EA), eV:

 -8.22(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations