Geometry & MOs

Info

ID:	356084
PubChem CID:	127291120
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	375.194026
ΔH_f, kcal/mol:	-166.3
Dipole, Da:	2.6
IP(EA), eV:	-9.17(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazin-1-yl)sulfonyl-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)N2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations