Geometry & MOs

Info

ID:	124413
PubChem CID:	50882076
Reduced:	ClOSN4C15H15 (1)
Stoich.:	ABCD4E15F15 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	19.17
Dipole, Da:	4.42
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C2C(=C(C=C1)Cl)N=C(S2)N3C(=CC(=N3)C)C

DOS

IR

Vibrations