Geometry & MOs

Info

ID:	305406
PubChem CID:	124807148
Reduced:	SO2N6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	341.086784
ΔH_f, kcal/mol:	21.31
Dipole, Da:	1.51
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-1-cyclopropylsulfonyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@]2(CCN(C2)C(=O)C3=CSN=N3)OC1)C4=NC=CC=N4

DOS

IR

Vibrations