Geometry & MOs

Info

ID:	186484
PubChem CID:	77439124
Reduced:	O9C26H38 (1)
Stoich.:	A9B26C38 (1)
Weight, g/mol:	669.387682
ΔH_f, kcal/mol:	-403.35
Dipole, Da:	5.93
IP(EA), eV:	-9.41(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[5-[benzyl(phenylmethoxycarbonyl)amino]pentoxy]-2-ethyl-4,5-dimethyloxan-3-yl]oxy-5-hydroxy-4,6-dimethyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1C(C(OC(C1O)C(=O)OC)OC2C(C(C(OC2COC(=O)C)OCC3=CC=CC=C3)C)C)C

DOS

IR

Vibrations