Geometry & MOs

Info

ID:

86442

PubChem CID:

49885581

Reduced:

SCl2O3N4C24H24 (1)

Stoich.:

AB2C3D4E24F24 (1)

Weight, g/mol:

514.182081

ΔHf, kcal/mol:

-31.32

Dipole, Da:

4.6

IP(EA), eV:

 -8.86(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)SC2=NN=C(N2CC=C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations