Geometry & MOs

Info

ID:

125105

PubChem CID:

50909897

Reduced:

N2O12C43H68 (1)

Stoich.:

A2B12C43D68 (1)

Weight, g/mol:

336.052841

ΔHf, kcal/mol:

-553.54

Dipole, Da:

12.79

IP(EA), eV:

 -9.05(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-nitrophenyl)-3-(4-sulfamoylphenyl)urea

Drug info:

PubChemData

Smile

CCC/C=C/[C@H]1C([C@H]([C@H]([C@](O1)([C@H](CC)C(=O)NC/C=C/CC(C)[C@H]([C@@H](C)[C@H]2[C@H]([C@H]([C@H](O2)/C=C/CCCC(C)C(=O)C3=C(NC=CC3=O)O)O)O)OC)O)O)O)(C)C

DOS

IR

Vibrations