Geometry & MOs

Info

ID:

188795

PubChem CID:

77767442

Reduced:

N4O5C29H44 (1)

Stoich.:

A4B5C29D44 (1)

Weight, g/mol:

682.301918

ΔHf, kcal/mol:

-228.17

Dipole, Da:

7.76

IP(EA), eV:

 -9.06(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-6-oxo-1-phenyl-5-[[4-(2-phosphonooxypropyl)phenyl]methyl]hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)N(C)C(=O)OCC3=CC=CC=C3)O)O

DOS

IR

Vibrations