Geometry & MOs

Info

ID:

49741

PubChem CID:

11533708

Reduced:

SO2N7C27H33 (1)

Stoich.:

AB2C7D27E33 (1)

Weight, g/mol:

519.301615

ΔHf, kcal/mol:

58.61

Dipole, Da:

2.73

IP(EA), eV:

 -8.46(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-methoxyphenyl)methoxy]but-1-en-2-yl]-5-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COCC1(CC1)N2CCN(CC2)CC3=CC4=C(S3)C(=NC(=N4)C5=C6C=NNC6=CC=C5)N7CCOCC7

DOS

IR

Vibrations