Geometry & MOs

Info

ID:

53614

PubChem CID:

14717153

Reduced:

ClSO3N5C30H48 (1)

Stoich.:

ABC3D5E30F48 (1)

Weight, g/mol:

925.578478

ΔHf, kcal/mol:

-91.75

Dipole, Da:

7.36

IP(EA), eV:

 -8.95(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[7-[2-butoxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-6-(2-methoxyethoxy)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]-2-methylpropyl]-5-(2-methylheptan-2-yl)-2-octoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CCCCC)S(=O)(=O)NCC(C)C2=NN=C3N2NC(=C3Cl)C

DOS

IR

Vibrations