Geometry & MOs

Info

ID:	129956
PubChem CID:	51074393
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	304.104563
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	5.71
IP(EA), eV:	-8.56(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)C2=CN=C3N(C2=O)C=CS3

DOS

IR

Vibrations