Geometry & MOs

Info

ID:	62499
PubChem CID:	26719808
Reduced:	FSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	392.099477
ΔH_f, kcal/mol:	-93.19
Dipole, Da:	9.46
IP(EA), eV:	-8.9(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(1,3-benzothiazol-2-yl)-N-(3-fluorophenyl)-5-(furan-2-yl)pent-4-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations