Geometry & MOs

Info

ID:	307011
PubChem CID:	125264650
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	328.145678
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	4.29
IP(EA), eV:	-8.77(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,7aR)-1-ethylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)C(=O)[C@@H]2C[C@H]3[C@@H](O2)CCN3CC4=COC=C4

DOS

IR

Vibrations