Geometry & MOs

Info

ID:	178576
PubChem CID:	76352321
Reduced:	ClSF2O2N3H16C19 (1)
Stoich.:	ABC2D2E3F16G19 (1)
Weight, g/mol:	329.008884
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	7.93
IP(EA), eV:	-9.15(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)CCCC(=O)NC3=C(C(=CC=C3)Cl)SC(F)F)C=C1

DOS

IR

Vibrations