Geometry & MOs

Info

ID:	190577
PubChem CID:	78023328
Reduced:	O17C26H50 (1)
Stoich.:	A17B26C50 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-815.32
Dipole, Da:	2.97
IP(EA), eV:	-9.85(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methyl-5-(phenacylamino)-4-phenylmethoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCC(C(C(C(O)OC)OC(C(C(C(CC)O)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)O)OC)O)O)O)O)O

DOS

IR

Vibrations