Geometry & MOs

Info

ID:	306804
PubChem CID:	125240994
Reduced:	SN3O4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-142.26
Dipole, Da:	3.45
IP(EA), eV:	-8.7(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aS)-5-methylsulfonyl-2-pyridin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC[C@]2(CN(C[C@@H]2C1)C3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations