Geometry & MOs

Info

ID:	367469
PubChem CID:	127324772
Reduced:	OSN5C17H29 (1)
Stoich.:	ABC5D17E29 (1)
Weight, g/mol:	380.140593
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	3.44
IP(EA), eV:	-8.86(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCCCC(C3)SCC

DOS

IR

Vibrations