Geometry & MOs

Info

ID:	155507
PubChem CID:	56365843
Reduced:	ClF2N2O2S2C19H19 (1)
Stoich.:	AB2C2D2E2F19G19 (1)
Weight, g/mol:	454.056562
ΔH_f, kcal/mol:	-169.34
Dipole, Da:	5.64
IP(EA), eV:	-9.0(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F

DOS

IR

Vibrations