Geometry & MOs

Info

ID:	309218
PubChem CID:	126540507
Reduced:	ClO3N7C26H26 (1)
Stoich.:	AB3C7D26E26 (1)
Weight, g/mol:	410.153638
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	8.1
IP(EA), eV:	-8.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-3-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)Cl)C=O

DOS

IR

Vibrations