Geometry & MOs

Info

ID:	204624
PubChem CID:	79989318
Reduced:	BrNS2O5C10H12 (1)
Stoich.:	ABC2D5E10F12 (1)
Weight, g/mol:	240.16602
ΔH_f, kcal/mol:	-178.91
Dipole, Da:	9.72
IP(EA), eV:	-9.84(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-N-methyl-1-(3-methylthiophen-2-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)O)O)Br

DOS

IR

Vibrations