Geometry & MOs

Info

ID:

160103

PubChem CID:

57304734

Reduced:

N2O3C11H14 (1)

Stoich.:

A2B3C11D14 (1)

Weight, g/mol:

1080.541951

ΔHf, kcal/mol:

-55.3

Dipole, Da:

2.4

IP(EA), eV:

-9.11(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S,3R,4R,5S)-5-amino-1,6-bis(1,3-benzodioxol-5-yl)-3,4-dihydroxyhexan-2-yl]-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoyl]amino]-3-methyl-1-oxobutan-2-yl]-N-[(2S)-2-amino-3-phenylpropanoyl]carbamate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C(C=O)NOC

DOS

IR

Vibrations