Geometry & MOs

Info

ID:

53613

PubChem CID:

14716975

Reduced:

S3O4N6H32C47 (1)

Stoich.:

A3B4C6D32E47 (1)

Weight, g/mol:

593.316639

ΔHf, kcal/mol:

112.86

Dipole, Da:

6.59

IP(EA), eV:

 -8.56(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]-5-(2-methylheptan-2-yl)-2-octoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(S3)N/N=C\4/C5=CC=CC=C5C=C(C4=O)C(=O)NC6=CC=CC=C6)N/N=C\7/C8=CC=CC=C8C=C(C7=O)C(=O)NC9=CC=CC=C9

DOS

IR

Vibrations