Geometry & MOs

Info

ID:	366389
PubChem CID:	127319870
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-92.21
Dipole, Da:	3.18
IP(EA), eV:	-8.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyazetidine-1-carbonyl)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=C(C=C2)C(=O)NC3=CC=CN(C3=O)C

DOS

IR

Vibrations