Geometry & MOs

Info

ID:	140274
PubChem CID:	52673126
Reduced:	BrSN4O4C18H23 (1)
Stoich.:	ABC4D4E18F23 (1)
Weight, g/mol:	385.127169
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	2.09
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-(2,6-difluorophenyl)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations