Geometry & MOs

Info

ID:

168613

PubChem CID:

74994857

Reduced:

Cl3O4N5C36H37 (1)

Stoich.:

A3B4C5D36E37 (1)

Weight, g/mol:

493.189897

ΔHf, kcal/mol:

-47.43

Dipole, Da:

1.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.891640

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-(2-methylpropyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)C(=O)NC)Cl)N5CCCCC5.[Cl-]

DOS

IR

Vibrations