Geometry & MOs

Info

ID:	43792
PubChem CID:	10321798
Reduced:	O2N4C28H31 (1)
Stoich.:	A2B4C28D31 (1)
Weight, g/mol:	455.199111
ΔH_f, kcal/mol:	-42.75
Dipole, Da:	5.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.549509
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5S)-3-[6-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]pyridin-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CCCCCC[N+]2=CC3=C(C4=C(C(=C3C=C2)C)NC5=CC=CC=C54)C

DOS

IR

Vibrations