Geometry & MOs

Info

ID:	13072
PubChem CID:	220697
Reduced:	OSN4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	310.088832
ΔH_f, kcal/mol:	58.0
Dipole, Da:	4.34
IP(EA), eV:	-8.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations