Geometry & MOs

Info

ID:	62405
PubChem CID:	26719683
Reduced:	FOSN2H13C17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	388.124549
ΔH_f, kcal/mol:	-10.62
Dipole, Da:	2.32
IP(EA), eV:	-8.57(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations