Geometry & MOs

Info

ID:	77454
PubChem CID:	49635619
Reduced:	SO3N6C14H24 (1)
Stoich.:	AB3C6D14E24 (1)
Weight, g/mol:	369.172228
ΔH_f, kcal/mol:	-99.49
Dipole, Da:	6.21
IP(EA), eV:	-9.45(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-[(3-propoxyphenyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C(=O)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations