Geometry & MOs

Info

ID:	433255
PubChem CID:	135173392
Reduced:	SN3O3H27C29 (1)
Stoich.:	AB3C3D27E29 (1)
Weight, g/mol:	215.188529
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	4.44
IP(EA), eV:	-8.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-ethoxy-2-methyl-4-(propan-2-ylamino)hexan-3-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)SNC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations