Geometry & MOs

Info

ID:	34770
PubChem CID:	7978918
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-159.65
Dipole, Da:	2.84
IP(EA), eV:	-8.9(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)OC

DOS

IR

Vibrations