Geometry & MOs

Info

ID:

191787

PubChem CID:

78187901

Reduced:

N3O4H22C23 (2)

Stoich.:

A3B4C22D23 (2)

Weight, g/mol:

808.322062

ΔHf, kcal/mol:

-193.21

Dipole, Da:

4.03

IP(EA), eV:

 -9.52(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pyridin-2-ylmethyl N-[2-[[3,4-dihydroxy-1,6-diphenyl-5-[[2-(pyridin-2-ylmethoxycarbonylamino)benzoyl]amino]hexan-2-yl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(C(C(CC2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)NC(=O)OCC4=CC=CC=C4)O)O)NC(=O)C5=C(N=CC=C5)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations