Geometry & MOs

Info

ID:	343972
PubChem CID:	127267148
Reduced:	IOSN3C8H8 (1)
Stoich.:	ABCD3E8F8 (1)
Weight, g/mol:	337.07955
ΔH_f, kcal/mol:	34.84
Dipole, Da:	5.07
IP(EA), eV:	-10.01(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3,3-difluorobutylsulfonylamino)-3-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=NC=C(S1)I)C#N

DOS

IR

Vibrations