Geometry & MOs

Info

ID:	404933
PubChem CID:	135071826
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	928.384113
ΔH_f, kcal/mol:	-74.26
Dipole, Da:	4.62
IP(EA), eV:	-9.26(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-diacetyloxy-2-oct-6-ynoxy-6-[[4-[(3,4,5-triacetyloxy-6-oct-6-ynoxyoxane-2-carbonyl)amino]phenyl]carbamoyl]oxan-4-yl] acetate

Drug info:

PubChemData

Smile

C[C@]12[C@H](O1)CCC([C@H]2/C=C/C(=O)N(C)C)(C)C

DOS

IR

Vibrations