Geometry & MOs

Info

ID:	141336
PubChem CID:	52862195
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	2.74
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxidopyrimidin-1-ium-2-yl)methyl 2-(cyclohexanecarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)N1CC2=CC=CC=C2C3=CC=CC=C3C1

DOS

IR

Vibrations