Geometry & MOs

Info

ID:	68434
PubChem CID:	46508400
Reduced:	N3O5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	403.174119
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	8.52
IP(EA), eV:	-9.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-difluorophenyl)sulfonyl-N-heptan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)NCCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

DOS

IR

Vibrations