Geometry & MOs

Info

ID:

191782

PubChem CID:

78187896

Reduced:

N2O4C19H21 (2)

Stoich.:

A2B4C19D21 (2)

Weight, g/mol:

838.321394

ΔHf, kcal/mol:

-288.53

Dipole, Da:

4.54

IP(EA), eV:

 -9.07(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=CC=C1C(=O)NC(CC2=CC=CC=C2)C(C(C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4NC(=O)OCC)O)O

DOS

IR

Vibrations