Geometry & MOs

Info

ID:

16248

PubChem CID:

462788

Reduced:

N3O7C34H43 (1)

Stoich.:

A3B7C34D43 (1)

Weight, g/mol:

605.310101

ΔHf, kcal/mol:

-276.59

Dipole, Da:

3.05

IP(EA), eV:

 -8.83(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R,4R)-3-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]-5-oxo-1-phenylpentan-2-yl]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)OCCO)O

DOS

IR

Vibrations