Geometry & MOs

Info

ID:	217532
PubChem CID:	85087951
Reduced:	O2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	372.16066
ΔH_f, kcal/mol:	-235.92
Dipole, Da:	1.61
IP(EA), eV:	-8.41(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(benzenesulfonyl)-4-(methoxymethoxy)-3,5-dimethylhexanoate

Drug info:

PubChemData

Smile

CC1C2=C(C3C(O1)CC(O3)O)C(=C(C(=C2O)C4=CC=CC=C4)OC(C)C)O

DOS

IR

Vibrations