Geometry & MOs

Info

ID:	82976
PubChem CID:	49856917
Reduced:	BClN2O4C34H38 (1)
Stoich.:	ABC2D4E34F38 (1)
Weight, g/mol:	358.163407
ΔH_f, kcal/mol:	-192.56
Dipole, Da:	1.74
IP(EA), eV:	-9.4(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-triethylsilyloxybutyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC4=CC=CC=C4)NC(=O)CC(C5=CC(=CC=C5)Cl)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations