Geometry & MOs

Info

ID:	34745
PubChem CID:	7978890
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	-130.49
Dipole, Da:	1.86
IP(EA), eV:	-8.83(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations