Geometry & MOs

Info

ID:

161366

PubChem CID:

57391462

Reduced:

P3N14O17C21H39 (1)

Stoich.:

A3B14C17D21E39 (1)

Weight, g/mol:

427.071718

ΔHf, kcal/mol:

-806.91

Dipole, Da:

36.49

IP(EA), eV:

 -8.53(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(4-methoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)[O-])O)O.[NH4+].[NH4+].[NH4+]

DOS

IR

Vibrations