Geometry & MOs

Info

ID:	234650
PubChem CID:	92303239
Reduced:	N2S3O4C13H22 (1)
Stoich.:	A2B3C4D13E22 (1)
Weight, g/mol:	366.074171
ΔH_f, kcal/mol:	-162.42
Dipole, Da:	8.65
IP(EA), eV:	-8.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)C(=S)NC2=CCS(=O)(=O)C2

DOS

IR

Vibrations