Geometry & MOs

Info

ID:	191324
PubChem CID:	78131988
Reduced:	FSN2O2C9H10 (2)
Stoich.:	ABC2D2E9F10 (2)
Weight, g/mol:	443.078505
ΔH_f, kcal/mol:	-161.59
Dipole, Da:	6.86
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C(C1=NC(=C(S1)N)C(=O)NC2=C(SN=C2)OCCC(CO)O)C(=CC=C)F)F

DOS

IR

Vibrations