Geometry & MOs

Info

ID:	390356
PubChem CID:	134998641
Reduced:	N2O2S2C17H22 (1)
Stoich.:	A2B2C2D17E22 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-12.88
Dipole, Da:	8.27
IP(EA), eV:	-8.55(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-1-phenylmethoxybutan-2-yl)ethanimine oxide

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]([C@@H](ON1CC2=CC=CC=C2)C)C(=O)N3CCSC3=S

DOS

IR

Vibrations