Geometry & MOs

Info

ID:

15864

PubChem CID:

453880

Reduced:

IN2O5C33H39 (1)

Stoich.:

AB2C5D33E39 (1)

Weight, g/mol:

670.19037

ΔHf, kcal/mol:

-185.96

Dipole, Da:

2.93

IP(EA), eV:

 -9.49(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S,5S)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[(4-iodophenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CC2=CC=C(C=C2)I)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O

DOS

IR

Vibrations