Geometry & MOs

Info

ID:

16249

PubChem CID:

462792

Reduced:

N4O7C41H48 (1)

Stoich.:

A4B7C41D48 (1)

Weight, g/mol:

708.3523

ΔHf, kcal/mol:

-262.09

Dipole, Da:

3.19

IP(EA), eV:

 -9.31(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[[4-[[[(2R,3R,4S)-3-hydroxy-1-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-5-phenylpentan-2-yl]amino]methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)NC2[C@@H](CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)CNC(=O)OCC5=CC=CC=C5)O

DOS

IR

Vibrations