Geometry & MOs

Info

ID:	352844
PubChem CID:	127283934
Reduced:	SO3N5C15H23 (1)
Stoich.:	AB3C5D15E23 (1)
Weight, g/mol:	234.140199
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	3.66
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-propylsulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

CC1COCCN1CCNS(=O)(=O)C2=CC3=C(N=C2)N(N=C3C)C

DOS

IR

Vibrations