Geometry & MOs

Info

ID:

215306

PubChem CID:

85084520

Reduced:

SO8N10C37H60 (1)

Stoich.:

AB8C10D37E60 (1)

Weight, g/mol:

806.327542

ΔHf, kcal/mol:

-359.43

Dipole, Da:

5.92

IP(EA), eV:

 -8.97(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenacyl 3-[2-[[3-[2-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]benzoyl]amino]propanoylamino]benzoyl]amino]propanoylamino]benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N

DOS

IR

Vibrations