Geometry & MOs

Info

ID:	410704
PubChem CID:	135083505
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	639.203979
ΔH_f, kcal/mol:	-59.83
Dipole, Da:	1.94
IP(EA), eV:	-9.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-4-[[(2R,4aR,6R,7R,8R,8aS)-8-hydroxy-2-methyl-7-[(2,2,2-trifluoroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

C1COCC2=CC=CC=C2OC1

DOS

IR

Vibrations