Geometry & MOs

Info

ID:	367505
PubChem CID:	127324837
Reduced:	SN2O5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	354.136176
ΔH_f, kcal/mol:	-194.96
Dipole, Da:	2.64
IP(EA), eV:	-8.45(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothian-3-yl)-3-(6-morpholin-4-ylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)NC2CCCS(=O)(=O)C2)OC

DOS

IR

Vibrations