Geometry & MOs

Info

ID:

309915

PubChem CID:

126566917

Reduced:

O3C23H36 (1)

Stoich.:

A3B23C36 (1)

Weight, g/mol:

1163.194984

ΔHf, kcal/mol:

-166.99

Dipole, Da:

4.66

IP(EA), eV:

 -9.82(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate;methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate;methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CCCCC(=O)CC(CCC(C)C)(COC(=O)C1=CC=CC=C1)C(C)C

DOS

IR

Vibrations