Geometry & MOs

Info

ID:	367692
PubChem CID:	127325443
Reduced:	S2O3N4C14H18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	301.080636
ΔH_f, kcal/mol:	-73.25
Dipole, Da:	9.43
IP(EA), eV:	-9.29(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-methyl-2-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations