Geometry & MOs

Info

ID:	34772
PubChem CID:	7978920
Reduced:	SN2O2C21H28 (1)
Stoich.:	AB2C2D21E28 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	1.5
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations