Geometry & MOs

Info

ID:	273153
PubChem CID:	103770589
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-108.99
Dipole, Da:	2.67
IP(EA), eV:	-9.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C(C)(C)C1=CC=CC=C1)O

DOS

IR

Vibrations