Geometry & MOs

Info

ID:

184355

PubChem CID:

77150490

Reduced:

ClF2O2N5C27H36 (1)

Stoich.:

AB2C2D5E27F36 (1)

Weight, g/mol:

535.252559

ΔHf, kcal/mol:

-123.84

Dipole, Da:

2.05

IP(EA), eV:

 -8.79(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-amino-4-fluorobutyl)-N-[1-[1-benzyl-2-(5-chloro-2-fluorophenyl)-3H-1,2,4-triazol-5-yl]-2,2-dimethylpropyl]-2-hydroxypropanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CCC(CF)N)C(C1N=CN(N1CC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)F)C(C)(C)C)O

DOS

IR

Vibrations