Geometry & MOs

Info

ID:	165449
PubChem CID:	74551948
Reduced:	ClO2S2N3H15C21 (1)
Stoich.:	AB2C2D3E15F21 (1)
Weight, g/mol:	265.227989
ΔH_f, kcal/mol:	83.78
Dipole, Da:	5.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755562
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NC(=S)S3)[O-])CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations