Geometry & MOs

Info

ID:	34749
PubChem CID:	7978894
Reduced:	SN2O2C20H28 (1)
Stoich.:	AB2C2D20E28 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	1.8
IP(EA), eV:	-9.08(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)ethyl (3R,7aS)-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)CCCC4=CC=CS4

DOS

IR

Vibrations