Geometry & MOs

Info

ID:	44725
PubChem CID:	10505583
Reduced:	FNO7H20C28 (1)
Stoich.:	ABC7D20E28 (1)
Weight, g/mol:	501.199882
ΔH_f, kcal/mol:	-109.54
Dipole, Da:	1.56
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-2-[(1S)-1-benzamido-2-methoxy-2-oxoethyl]-5-[(1S)-1,2-dimethoxyethyl]-4-methoxyoxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)F)N(C(=O)OC3=CC=CC=C3)OC(=O)OC4=CC=CC=C4

DOS

IR

Vibrations