Geometry & MOs

Info

ID:	77463
PubChem CID:	49635684
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-121.02
Dipole, Da:	3.56
IP(EA), eV:	-9.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOCCNC(=O)N(CCO)CC2=CSC=C2

DOS

IR

Vibrations