Geometry & MOs

Info

ID:

16253

PubChem CID:

462796

Reduced:

N4O7C39H52 (1)

Stoich.:

A4B7C39D52 (1)

Weight, g/mol:

688.3836

ΔHf, kcal/mol:

-278.71

Dipole, Da:

9.22

IP(EA), eV:

 -9.08(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-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]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](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)OC(C)(C)C

DOS

IR

Vibrations