Geometry & MOs

Info

ID:

220207

PubChem CID:

85165364

Reduced:

N6O6C37H48 (1)

Stoich.:

A6B6C37D48 (1)

Weight, g/mol:

673.03584

ΔHf, kcal/mol:

-239.37

Dipole, Da:

3.86

IP(EA), eV:

 -9.25(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-[[2-benzamido-3-[(3,5-dibromopyridin-2-yl)amino]prop-2-enoyl]amino]propanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CNC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations