Geometry & MOs

Info

ID:	306741
PubChem CID:	125236871
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	274.098728
ΔH_f, kcal/mol:	-180.6
Dipole, Da:	4.12
IP(EA), eV:	-9.17(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,6aR)-N-cyclopropyl-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

Drug info:

PubChemData

Smile

COCCN1C[C@H]2CCN(CC[C@@H]2S1(=O)=O)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations