Geometry & MOs

Info

ID:	148303
PubChem CID:	53787965
Reduced:	ON2C44H80 (1)
Stoich.:	AB2C44D80 (1)
Weight, g/mol:	206.079908
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	3.09
IP(EA), eV:	-8.73(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-propan-2-yl 3-propan-2-ylsulfanylpropanethioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCN1C(N(C1=O)CCCCCCCCCCCCCCCCCC)C2=CC=CC=C2

DOS

IR

Vibrations