Geometry & MOs

Info

ID:	240462
PubChem CID:	93580343
Reduced:	SN2O2C14H24 (1)
Stoich.:	AB2C2D14E24 (1)
Weight, g/mol:	514.145984
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	3.76
IP(EA), eV:	-8.52(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,4-dichlorophenoxy)-3-[[4-(diethylamino)phenyl]methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CC(C)C)N(C)S(=O)(=O)CC1=CC(=CC=C1)N

DOS

IR

Vibrations