Geometry & MOs

Info

ID:	56473
PubChem CID:	17435813
Reduced:	N3O4C27H29 (1)
Stoich.:	A3B4C27D29 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-82.13
Dipole, Da:	0.77
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(3-methylphenyl)sulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations