Geometry & MOs

Info

ID:	203947
PubChem CID:	79892845
Reduced:	SN3O3C11H15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	281.083413
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	4.14
IP(EA), eV:	-8.28(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCNC1=NC2=C(C=CC=C2O1)N

DOS

IR

Vibrations