Geometry & MOs

Info

ID:	34768
PubChem CID:	7978916
Reduced:	BrO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	2.7
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)C4=CC(=CN=C4)Br

DOS

IR

Vibrations