Geometry & MOs

Info

ID:	366094
PubChem CID:	127319449
Reduced:	S2N3O5C14H21 (1)
Stoich.:	A2B3C5D14E21 (1)
Weight, g/mol:	313.080636
ΔH_f, kcal/mol:	-175.03
Dipole, Da:	9.14
IP(EA), eV:	-9.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations