Geometry & MOs

Info

ID:	166029
PubChem CID:	74627739
Reduced:	NSO4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	487.99022
ΔH_f, kcal/mol:	-99.36
Dipole, Da:	11.35
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(5-bromothiophen-2-yl)-3-[(4-fluorophenyl)methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=C)C2=CC=C(C=C2)OC)CC3(CC(=O)C3)C

DOS

IR

Vibrations