Geometry & MOs

Info

ID:	191325
PubChem CID:	78131989
Reduced:	F2S2N3O4C18H19 (1)
Stoich.:	A2B2C3D4E18F19 (1)
Weight, g/mol:	427.094824
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	8.05
IP(EA), eV:	-9.21(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[5-(3-aminopropoxy)-1,2-thiazol-4-yl]-2-(2,4-difluorohepta-2,4,6-trien-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=C(C1=NC(=CS1)C(=O)NC2=C(SN=C2)OCCC(CO)O)C(=CC=C)F)F

DOS

IR

Vibrations