Geometry & MOs

Info

ID:	249265
PubChem CID:	103088178
Reduced:	FCl2N2O2S2C11H13 (1)
Stoich.:	AB2C2D2E2F11G13 (1)
Weight, g/mol:	233.127192
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	2.26
IP(EA), eV:	-8.7(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-(thian-2-ylmethyl)butan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)NCCCCC(=S)N)Cl)F)Cl

DOS

IR

Vibrations