Geometry & MOs

Info

ID:	220599
PubChem CID:	85197932
Reduced:	ClFOSN3C15H17 (1)
Stoich.:	ABCDE3F15G17 (1)
Weight, g/mol:	335.07322
ΔH_f, kcal/mol:	-70.28
Dipole, Da:	8.24
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-bromobutanoyl)-2-tert-butyl-1,3-oxazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CC(NC2C1C(=O)N(C(=S)N2)C3=CC(=C(C=C3)F)Cl)C

DOS

IR

Vibrations