Geometry & MOs

Info

ID:	230387
PubChem CID:	87570763
Reduced:	Cl2S2F3N3O3H20C22 (2)
Stoich.:	A2B2C3D3E3F20G22 (2)
Weight, g/mol:	165.128427
ΔH_f, kcal/mol:	-419.67
Dipole, Da:	6.97
IP(EA), eV:	-8.64(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N,N,2-trimethylpentan-1-amine;hydrochloride

Drug info:

Smile

COC1=CC(=CC(=C1)CC2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl)OC.C1CN(CCN1C2=NC(=CS2)CC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations