Geometry & MOs

Info

ID:	391013
PubChem CID:	135002227
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	732.419711
ΔH_f, kcal/mol:	-59.14
Dipole, Da:	4.31
IP(EA), eV:	-8.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-6-[[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-formylamino]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C/C=C\1/C(C2=CC=CC=C2O1)N3CCCC3)O

DOS

IR

Vibrations