Geometry & MOs

Info

ID:	173324
PubChem CID:	75623037
Reduced:	FSN2O4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	347.103669
ΔH_f, kcal/mol:	-138.42
Dipole, Da:	3.99
IP(EA), eV:	-9.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C=CC2=CC=C(C=C2)F

DOS

IR

Vibrations