Geometry & MOs

Info

ID:	43255
PubChem CID:	10320235
Reduced:	F2N4O4H16C21 (1)
Stoich.:	A2B4C4D16E21 (1)
Weight, g/mol:	425.01901
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	3.94
IP(EA), eV:	-9.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (NZ)-N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-(3-methyl-1,3-benzothiazol-2-ylidene)carbamimidothioate

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)CC3=CC(=C(C=C3)F)F)N=C(O2)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations