Geometry & MOs

Info

ID:	284751
PubChem CID:	104067863
Reduced:	FS2O3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-100.3
Dipole, Da:	3.28
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CS(=O)C2=CC(=C(C=C2)F)C(=O)O

DOS

IR

Vibrations