Geometry & MOs

Info

ID:

316133

PubChem CID:

126630173

Reduced:

SCl2F3N3O14C53H74 (1)

Stoich.:

AB2C3D3E14F53G74 (1)

Weight, g/mol:

444.23727

ΔHf, kcal/mol:

-677.77

Dipole, Da:

0.93

IP(EA), eV:

 -8.87(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[[(E)-pent-3-enoyl]amino]-4-phenylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=NC2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=C1)NC5CCN(CC5)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations