Geometry & MOs

Info

ID:	366793
PubChem CID:	127320330
Reduced:	NS2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	336.11775
ΔH_f, kcal/mol:	-95.24
Dipole, Da:	1.89
IP(EA), eV:	-9.11(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(cyclopropylmethylsulfonyl)-1,4-diazepane

Drug info:

PubChemData

Smile

C1COCC1S(=O)(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations