Geometry & MOs

Info

ID:	44323
PubChem CID:	10502763
Reduced:	ON6C25H30 (1)
Stoich.:	AB6C25D30 (1)
Weight, g/mol:	430.092204
ΔH_f, kcal/mol:	66.58
Dipole, Da:	6.39
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[1-[[5-(phenothiazin-10-ylmethyl)-1,3,4-thiadiazol-2-yl]amino]ethylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CN[C@H](CO)C2=CC=CC=C2)CCC3=CNC4=C3C=C(C=C4)N5C=NN=C5

DOS

IR

Vibrations