Geometry & MOs

Info

ID:

223870

PubChem CID:

85335682

Reduced:

S2O4N7C30H33 (1)

Stoich.:

A2B4C7D30E33 (1)

Weight, g/mol:

623.263873

ΔHf, kcal/mol:

-3.24

Dipole, Da:

10.48

IP(EA), eV:

 -8.82(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[3-(tetrazolidin-5-ylmethyl)phenoxy]butan-1-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)C(=NNC2=CC(=NC(=N2)NC3=CC=CC=C3)NN=C(C)C4=CC=C(C=C4)S(=O)(=O)CC)C

DOS

IR

Vibrations