Geometry & MOs

Info

ID:

178729

PubChem CID:

76372956

Reduced:

SO5N6H34C35 (1)

Stoich.:

AB5C6D34E35 (1)

Weight, g/mol:

524.209341

ΔHf, kcal/mol:

-83.21

Dipole, Da:

4.13

IP(EA), eV:

 -9.44(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[(2-oxothietan-3-yl)amino]-3-phenylpropan-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1C(C(=O)S1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5=NC=CN=C5

DOS

IR

Vibrations