Geometry & MOs

Info

ID:	43327
PubChem CID:	10321136
Reduced:	SN2O2F3C22H29 (1)
Stoich.:	AB2C2D3E22F29 (1)
Weight, g/mol:	442.189943
ΔH_f, kcal/mol:	-250.65
Dipole, Da:	2.29
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[(5S)-2-oxo-3-[6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyridin-3-yl]-1,3-oxazolidin-5-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CS[C@@]1(CC[C@H](C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations