Geometry & MOs

Info

ID:

16252

PubChem CID:

462795

Reduced:

N4O7C42H50 (1)

Stoich.:

A4B7C42D50 (1)

Weight, g/mol:

722.36795

ΔHf, kcal/mol:

-242.73

Dipole, Da:

1.16

IP(EA), eV:

 -8.69(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)NC2C(CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations