Geometry & MOs

Info

ID:	234649
PubChem CID:	92303238
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	366.074171
ΔH_f, kcal/mol:	-100.55
Dipole, Da:	3.09
IP(EA), eV:	-9.57(-0.73)
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-[(3R)-1,1-dioxothiolan-3-yl]thiourea

Drug info:

PubChemData

Smile

CCCOC(=N[C@H](C)C(C)C)NC(=O)C1=CC=CO1

DOS

IR

Vibrations