Geometry & MOs

Info

ID:	380392
PubChem CID:	134970829
Reduced:	PC25H27 (1)
Stoich.:	AB25C27 (1)
Weight, g/mol:	398.17631
ΔH_f, kcal/mol:	55.62
Dipole, Da:	1.49
IP(EA), eV:	-8.49(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-2-(benzenesulfonyl)-4-methyl-3-[(2R,6S)-6-methyloxan-2-yl]oxypentanoate

Drug info:

PubChemData

Smile

CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)C=CC(C)C3=CC=CC=C3

DOS

IR

Vibrations