Geometry & MOs

Info

ID:	366169
PubChem CID:	127319578
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	255.067762
ΔH_f, kcal/mol:	-203.72
Dipole, Da:	5.02
IP(EA), eV:	-8.74(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations