Geometry & MOs

Info

ID:	383410
PubChem CID:	134975116
Reduced:	ClNS2O3C21H32 (1)
Stoich.:	ABC2D3E21F32 (1)
Weight, g/mol:	402.117081
ΔH_f, kcal/mol:	-141.56
Dipole, Da:	2.51
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxycarbothioylsulfanyl-4-(3,4,5-trimethoxyphenyl)butyl] acetate

Drug info:

PubChemData

Smile

CCOC(=S)SC(CCCCCCCCC(=O)OC)CCC1=CN=C(C=C1)Cl

DOS

IR

Vibrations