Geometry & MOs

Info

ID:	356104
PubChem CID:	127291140
Reduced:	ClO2F3N4C16H20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	389.122084
ΔH_f, kcal/mol:	-227.73
Dipole, Da:	4.87
IP(EA), eV:	-9.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-difluorophenyl)sulfonyl-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations