Geometry & MOs

Info

ID:	172775
PubChem CID:	75550561
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	536.156341
ΔH_f, kcal/mol:	-111.95
Dipole, Da:	2.97
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)sulfonyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1C=CN2C(C1=O)CC(N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations