Geometry & MOs

Info

ID:	64725
PubChem CID:	29203913
Reduced:	FNOC10H10 (2)
Stoich.:	ABCD10E10 (2)
Weight, g/mol:	401.157326
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	4.45
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3F)F

DOS

IR

Vibrations