Geometry & MOs

Info

ID:

214550

PubChem CID:

85083178

Reduced:

SN3O6C29H29 (1)

Stoich.:

AB3C6D29E29 (1)

Weight, g/mol:

547.268236

ΔHf, kcal/mol:

-150.59

Dipole, Da:

5.73

IP(EA), eV:

 -9.37(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[[1-(dimethylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=CC(=NC5=O)N

DOS

IR

Vibrations