Geometry & MOs

Info

ID:

47215

PubChem CID:

10530676

Reduced:

NO6H31C34 (1)

Stoich.:

AB6C31D34 (1)

Weight, g/mol:

547.98554

ΔHf, kcal/mol:

-127.71

Dipole, Da:

4.59

IP(EA), eV:

 -8.37(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(Z)-[5-bromo-1-[(dimethylamino)methyl]-2-oxoindol-3-ylidene]amino]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiourea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]([C@@H]2[C@H](N(CC2=O)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6)C(=O)OC)O)OC

DOS

IR

Vibrations