Geometry & MOs

Info

ID:	124359
PubChem CID:	50880231
Reduced:	OSN4H22C23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	367.146681
ΔH_f, kcal/mol:	51.58
Dipole, Da:	3.34
IP(EA), eV:	-8.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1NC(=O)C3=CC=CC4=CC=CC=C43)C)SC(=N2)NN=C(C)C

DOS

IR

Vibrations