Geometry & MOs

Info

ID:	342590
PubChem CID:	127265750
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	328.125692
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	9.67
IP(EA), eV:	-9.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(5-fluoropyridin-3-yl)-N-(2-methylsulfonylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C=CC(=O)N(CCS(=O)(=O)C)C(C)(C)C

DOS

IR

Vibrations