Geometry & MOs

Info

ID:	39249
PubChem CID:	8139977
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	393.154469
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	3.65
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations