Geometry & MOs

Info

ID:	205601
PubChem CID:	80124794
Reduced:	OSCl2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-22.3
Dipole, Da:	1.91
IP(EA), eV:	-8.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydrazinyl 3-[(3,5-dimethylphenyl)methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSCC(=O)C2=CC(=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations