Geometry & MOs

Info

ID:	306920
PubChem CID:	125264335
Reduced:	SO2N5C15H27 (1)
Stoich.:	AB2C5D15E27 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	6.59
IP(EA), eV:	-9.16(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5S,7aR)-5-(prop-2-enoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC[C@@H]2[C@@H](C1)C[C@@H](N2C(C)C)CN3C=NC=N3

DOS

IR

Vibrations