Geometry & MOs

Info

ID:	237006
PubChem CID:	92716749
Reduced:	NO6H25C27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	326.075885
ΔH_f, kcal/mol:	-134.97
Dipole, Da:	1.3
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-N-ethyl-N-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2[C@@H](COC3=CC=CC=C32)C4=CC=CC=C4)OC

DOS

IR

Vibrations