Geometry & MOs

Info

ID:

1123

PubChem CID:

3817

Reduced:

N4O5C37H48 (1)

Stoich.:

A4B5C37D48 (1)

Weight, g/mol:

628.362471

ΔHf, kcal/mol:

-195.58

Dipole, Da:

5.45

IP(EA), eV:

 -9.25(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O

DOS

IR

Vibrations