Geometry & MOs

Info

ID:	306896
PubChem CID:	125264220
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	316.091535
ΔH_f, kcal/mol:	-51.76
Dipole, Da:	7.31
IP(EA), eV:	-8.71(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,7aR)-N,N-dimethyl-1-thiophen-2-ylsulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H]([C@H]2[C@H]1CCCO2)NC(=O)C3=CN(N=C3)C

DOS

IR

Vibrations