Geometry & MOs

Info

ID:

89359

PubChem CID:

49960931

Reduced:

BrNO2C18H19 (2)

Stoich.:

ABC2D18E19 (2)

Weight, g/mol:

750.14908

ΔHf, kcal/mol:

-110.1

Dipole, Da:

3.82

IP(EA), eV:

 -8.63(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-[4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C(=C4)C)Br)C(C)C

DOS

IR

Vibrations