Geometry & MOs

Info

ID:	34766
PubChem CID:	7978914
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-170.25
Dipole, Da:	5.91
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations