Geometry & MOs

Info

ID:	217997
PubChem CID:	85088714
Reduced:	N5O7C18H21 (1)
Stoich.:	A5B7C18D21 (1)
Weight, g/mol:	419.176016
ΔH_f, kcal/mol:	-177.19
Dipole, Da:	4.21
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-diethylboranyloxy-3-(1,3-dithian-2-ylidene)propyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C3C(=NC=N2)N(C=N3)OC4C(C(C(C(O4)CO)O)O)O)O

DOS

IR

Vibrations