Geometry & MOs

Info

ID:	245335
PubChem CID:	99443534
Reduced:	ClNSO5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	413.05
ΔH_f, kcal/mol:	-185.79
Dipole, Da:	5.44
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]-N-(3-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@H](C)S(=O)(=O)CC2=CC(=CC3=C2OCOC3)Cl

DOS

IR

Vibrations