Geometry & MOs

Info

ID:	346907
PubChem CID:	127271411
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-67.46
Dipole, Da:	4.54
IP(EA), eV:	-9.47(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C

DOS

IR

Vibrations