Geometry & MOs

Info

ID:	397884
PubChem CID:	135030902
Reduced:	NPSiO4C41H52 (1)
Stoich.:	ABCD4E41F52 (1)
Weight, g/mol:	364.03102
ΔH_f, kcal/mol:	-164.02
Dipole, Da:	9.08
IP(EA), eV:	-8.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4R,5S)-4-(4-bromophenyl)-5-(furan-2-yl)oxolane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)N(C)C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations