Geometry & MOs

Info

ID:	13961
PubChem CID:	400959
Reduced:	ClSN5H22C26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	471.128445
ΔH_f, kcal/mol:	160.94
Dipole, Da:	6.43
IP(EA), eV:	-8.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(1,3-benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=C(C=C4)N(C)C)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations