Geometry & MOs

Info

ID:	231540
PubChem CID:	87574072
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	256.031791
ΔH_f, kcal/mol:	-28.44
Dipole, Da:	4.67
IP(EA), eV:	-8.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-5-fluoro-4-(methanesulfonamido)benzamide

Drug info:

PubChemData

Smile

CC(=O)SOC1=CC=CC(=C1)C2=CC(=CC=C2)N

DOS

IR

Vibrations