Geometry & MOs

Info

ID:

188056

PubChem CID:

77661695

Reduced:

ClN3O7C34H36 (1)

Stoich.:

AB3C7D34E36 (1)

Weight, g/mol:

650.299202

ΔHf, kcal/mol:

-226.49

Dipole, Da:

7.53

IP(EA), eV:

 -8.79(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-benzyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-3-[3-(3-methoxy-4-phenylmethoxyphenyl)but-2-enylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CC=CCOC3=C(C=CC(=C3)Cl)C(=O)NC(C(=O)NC(CCC2=O)C(=O)OC)CC4=CC=CC=C4

DOS

IR

Vibrations