Geometry & MOs

Info

ID:	182183
PubChem CID:	76856386
Reduced:	O2S2N4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-9.16
Dipole, Da:	7.2
IP(EA), eV:	-8.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(CCSC)C(=O)NN=C2N(C3=CC=CC=C3S2)C

DOS

IR

Vibrations