Geometry & MOs

Info

ID:

226267

PubChem CID:

87350277

Reduced:

BrC45H49 (1)

Stoich.:

AB45C49 (1)

Weight, g/mol:

590.115552

ΔHf, kcal/mol:

30.89

Dipole, Da:

2.07

IP(EA), eV:

 -8.64(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[4-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2-methylphenyl]carbamoyl]-6-chlorobenzoyl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=CC=CC=C2C3=C1C(=CC=C3)C4=CC5=C6C(=C4)C=CC7=CC(=CC(=C76)C=C5)Br)CCCCCCCC

DOS

IR

Vibrations