Geometry & MOs

Info

ID:

191784

PubChem CID:

78187898

Reduced:

ClN2O4H22C24 (2)

Stoich.:

AB2C4D22E24 (2)

Weight, g/mol:

834.362865

ΔHf, kcal/mol:

-228.22

Dipole, Da:

6.65

IP(EA), eV:

 -9.1(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-[[3,4-dihydroxy-5-[[3-methyl-2-(phenylmethoxycarbonylamino)benzoyl]amino]-1,6-diphenylhexan-2-yl]carbamoyl]-6-methylphenyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations