Geometry & MOs

Info

ID:	62512
PubChem CID:	26719821
Reduced:	O2N3S3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	328.984419
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	3.06
IP(EA), eV:	-8.71(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-fluoro-N-(3-methylsulfanylphenyl)benzamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)CCSCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations