Geometry & MOs

Info

ID:	200295
PubChem CID:	79376416
Reduced:	SO2N3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	271.044919
ΔH_f, kcal/mol:	19.33
Dipole, Da:	4.58
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,1-dioxothian-3-yl)amino]-3-methyl-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations