Geometry & MOs

Info

ID:	153489
PubChem CID:	56312718
Reduced:	FN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	435.047124
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	4.36
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations