Geometry & MOs

Info

ID:

168661

PubChem CID:

74999882

Reduced:

NO15C53H59 (1)

Stoich.:

AB15C53D59 (1)

Weight, g/mol:

671.143735

ΔHf, kcal/mol:

-532.83

Dipole, Da:

12.19

IP(EA), eV:

 -9.66(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2,6-dichlorobenzoyl)oxy-4-oxo-3-[2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)C8CCCC8)C)OC(=O)C

DOS

IR

Vibrations