Geometry & MOs

Info

ID:	306927
PubChem CID:	125264362
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-112.2
Dipole, Da:	4.77
IP(EA), eV:	-9.28(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,7aR)-3-(diethylamino)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC[C@@H]2CC[C@@H]3[C@@H](O2)CCN3C(=O)C

DOS

IR

Vibrations