Geometry & MOs

Info

ID:

191786

PubChem CID:

78187900

Reduced:

N2O4C25H25 (2)

Stoich.:

A2B4C25D25 (2)

Weight, g/mol:

808.322062

ΔHf, kcal/mol:

-217.51

Dipole, Da:

4.7

IP(EA), eV:

 -9.0(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[3-[[3,4-dihydroxy-1,6-diphenyl-5-[[2-(phenylmethoxycarbonylamino)pyridine-3-carbonyl]amino]hexan-2-yl]carbamoyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(C(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)COCC4=CC=CC=C4)O)O)NC(=O)C5=CC=CC=C5NC(=O)COCC6=CC=CC=C6

DOS

IR

Vibrations