Geometry & MOs

Info

ID:

86422

PubChem CID:

49885394

Reduced:

SN4O5C27H30 (1)

Stoich.:

AB4C5D27E30 (1)

Weight, g/mol:

512.089674

ΔHf, kcal/mol:

-108.85

Dipole, Da:

6.78

IP(EA), eV:

 -9.06(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations