Geometry & MOs

Info

ID:	137432
PubChem CID:	52207755
Reduced:	N2S2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	315.161663
ΔH_f, kcal/mol:	-91.56
Dipole, Da:	7.39
IP(EA), eV:	-8.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)N[C@@H]2CCS(=O)(=O)C2)N3C=CC=C3)C

DOS

IR

Vibrations