Geometry & MOs

Info

ID:	249338
PubChem CID:	103088728
Reduced:	FNSCl2O3C12H14 (1)
Stoich.:	ABCD2E3F12G14 (1)
Weight, g/mol:	246.176585
ΔH_f, kcal/mol:	-173.62
Dipole, Da:	5.97
IP(EA), eV:	-9.65(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-cyclopropyl-2-N-(2-methoxyethyl)-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CCN(CC1O)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations