Geometry & MOs

Info

ID:	230079
PubChem CID:	87570053
Reduced:	ClSN2O2C12H16 (2)
Stoich.:	ABC2D2E12F16 (2)
Weight, g/mol:	132.060886
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	1.79
IP(EA), eV:	-8.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2,2-dimethylpropyl) methanethioate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)NC(C3=CSC=C3)C(=O)CS(=O)(=O)C)Cl)Cl

DOS

IR

Vibrations