Geometry & MOs

Info

ID:	358094
PubChem CID:	127295639
Reduced:	O2S2N3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	246.140199
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	7.84
IP(EA), eV:	-8.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations