Geometry & MOs

Info

ID:	166753
PubChem CID:	74728680
Reduced:	N5O5C23H28 (1)
Stoich.:	A5B5C23D28 (1)
Weight, g/mol:	360.04994
ΔH_f, kcal/mol:	-102.75
Dipole, Da:	8.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768195
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)prop-2-enamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)CCC4=CC=CC=C4

DOS

IR

Vibrations