Geometry & MOs

Info

ID:	308506
PubChem CID:	125333298
Reduced:	N3O6C35H43 (1)
Stoich.:	A3B6C35D43 (1)
Weight, g/mol:	356.99353
ΔH_f, kcal/mol:	-110.14
Dipole, Da:	6.13
IP(EA), eV:	-8.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(Z)-benzylideneamino]-4-(4-bromophenyl)-5H-1,3-thiazol-2-imine

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N\OCC(=O)NCCC3=C(NC4=C3C=C(C=C4)OC)C(=O)O)/C=C1CC[C@H]5[C@H]2CC[C@@]6([C@@H]5CC[C@]6(C#C)O)C

DOS

IR

Vibrations