Geometry & MOs

Info

ID:

146551

PubChem CID:

53704528

Reduced:

N2O3S3H23C27 (1)

Stoich.:

A2B3C3D23E27 (1)

Weight, g/mol:

529.001649

ΔHf, kcal/mol:

-15.06

Dipole, Da:

5.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.052755

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]-N-(4-methoxy-1,3-benzodioxol-5-yl)carbamate

Drug info:

PubChemData

Smile

C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)O

DOS

IR

Vibrations