Geometry & MOs

Info

ID:

1143

PubChem CID:

3849

Reduced:

N4O6C39H52 (1)

Stoich.:

A4B6C39D52 (1)

Weight, g/mol:

672.388685

ΔHf, kcal/mol:

-270.39

Dipole, Da:

3.69

IP(EA), eV:

 -9.32(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations