Geometry & MOs

Info

ID:	34984
PubChem CID:	7979164
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	4.82
IP(EA), eV:	-9.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)[C@@H](C(C)C)NC(=O)C

DOS

IR

Vibrations