Geometry & MOs

Info

ID:	13727
PubChem CID:	397249
Reduced:	ClOS2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	414.037581
ΔH_f, kcal/mol:	59.14
Dipole, Da:	2.32
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one

Drug info:

PubChemData

Smile

CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5Cl

DOS

IR

Vibrations