Geometry & MOs

Info

ID:	366386
PubChem CID:	127319867
Reduced:	SN3O4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	373.120861
ΔH_f, kcal/mol:	-137.83
Dipole, Da:	5.59
IP(EA), eV:	-9.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,7a-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1COCC1C(=O)NCC2=CSC(=N2)NC(=O)C3CCOC3

DOS

IR

Vibrations