Geometry & MOs

Info

ID:	214632
PubChem CID:	85083313
Reduced:	OSiTeC29H43 (1)
Stoich.:	ABCD29E43 (1)
Weight, g/mol:	562.12157
ΔH_f, kcal/mol:	-27.63
Dipole, Da:	2.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.901924
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyrimidin-2-yl)-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[Te+](CC(C)C)CC(=C[Si](C)(C)C)C(C=C(C1=CC=CC=C1)O)C2=CC=CC=C2

DOS

IR

Vibrations