Geometry & MOs

Info

ID:	135760
PubChem CID:	51929938
Reduced:	N2O3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	382.047956
ΔH_f, kcal/mol:	-93.65
Dipole, Da:	13.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.048315
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C(=O)[C@@H](C)[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations