Geometry & MOs

Info

ID:	230928
PubChem CID:	87572264
Reduced:	ClSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	223.09356
ΔH_f, kcal/mol:	-42.58
Dipole, Da:	2.08
IP(EA), eV:	-9.04(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-2-methylhexan-2-yl)azanium;bromide

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1(CC1)COC2=CC(=C(N=C2)Cl)C3=CC=C(C=C3)N=C=S)C(=O)O

DOS

IR

Vibrations