Geometry & MOs

Info

ID:	306867
PubChem CID:	125264130
Reduced:	SO2N5C14H25 (1)
Stoich.:	AB2C5D14E25 (1)
Weight, g/mol:	327.172896
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	6.41
IP(EA), eV:	-9.06(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,7aS)-5-methylsulfonyl-1-propan-2-yl-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC(C)N1[C@@H]2CCN(C[C@H]2C[C@H]1CN3C=NC=N3)S(=O)(=O)C

DOS

IR

Vibrations