Geometry & MOs

Info

ID:

232750

PubChem CID:

87576872

Reduced:

PN5O23C55H68 (1)

Stoich.:

AB5C23D55E68 (1)

Weight, g/mol:

278.015973

ΔHf, kcal/mol:

-897.15

Dipole, Da:

4.17

IP(EA), eV:

 -8.46(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C(COCOC(=O)C)(COP(=O)(OCC(COCOC(=O)C)(C(=O)OCC)C(=O)OCC)OC([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OC)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)C(=O)OCC

DOS

IR

Vibrations