Geometry & MOs

Info

ID:	235131
PubChem CID:	92304101
Reduced:	S2N4O4H12C17 (1)
Stoich.:	A2B4C4D12E17 (1)
Weight, g/mol:	366.074171
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	7.14
IP(EA), eV:	-9.18(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-1-[(3R)-1,1-dioxothiolan-3-yl]thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)/C=C(/C#N)\C(=O)N)S(=O)(=O)NC3=NC=CS3

DOS

IR

Vibrations