Geometry & MOs

Info

ID:	321222
PubChem CID:	126665391
Reduced:	SCl2O2N5C14H21 (1)
Stoich.:	AB2C2D5E14F21 (1)
Weight, g/mol:	218.051384
ΔH_f, kcal/mol:	-53.03
Dipole, Da:	3.85
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-phenylsulfanyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=NC2Cl)NC3CC4CN(CC4C3)S(=O)(=O)N)Cl

DOS

IR

Vibrations