Geometry & MOs

Info

ID:

146226

PubChem CID:

53654030

Reduced:

NO4C11H17 (1)

Stoich.:

AB4C11D17 (1)

Weight, g/mol:

971.425148

ΔHf, kcal/mol:

-177.34

Dipole, Da:

1.98

IP(EA), eV:

-9.57(-0.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-[[(2S)-1-[2-(benzylsulfamoyl)ethylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC(=O)C1CC(=C)CN1

DOS

IR

Vibrations