Geometry & MOs

Info

ID:	328792
PubChem CID:	126727816
Reduced:	NC18H25 (1)
Stoich.:	AB18C25 (1)
Weight, g/mol:	571.191442
ΔH_f, kcal/mol:	41.77
Dipole, Da:	3.77
IP(EA), eV:	-9.08(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-6-[4-(carbamoyloxymethyl)-2-[3-(4-phenyltriazol-1-yl)propylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1=C(C=C(C(=C1)C)C(=NC#C)C)CC

DOS

IR

Vibrations