Geometry & MOs

Info

ID:	307026
PubChem CID:	125264684
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	331.066048
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	3.48
IP(EA), eV:	-8.61(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,3aS,7aS)-1-(1,3-thiazole-4-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC[C@H]3[C@H]2C[C@@H](O3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations