Geometry & MOs

Info

ID:	216454
PubChem CID:	85086259
Reduced:	SO4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-131.42
Dipole, Da:	3.23
IP(EA), eV:	-9.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[[2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl] ethanethioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2CO2

DOS

IR

Vibrations