Geometry & MOs

Info

ID:	346616
PubChem CID:	127271120
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-130.19
Dipole, Da:	2.53
IP(EA), eV:	-9.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C2CCCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations