Geometry & MOs

Info

ID:

424790

PubChem CID:

135123927

Reduced:

SN5O5C36H45 (1)

Stoich.:

AB5C5D36E45 (1)

Weight, g/mol:

521.04833

ΔHf, kcal/mol:

-126.78

Dipole, Da:

5.92

IP(EA), eV:

 -9.24(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylidenebutyl)-5-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)NC(=O)C6CCOC6)C

DOS

IR

Vibrations