Geometry & MOs

Info

ID:

146153

PubChem CID:

53644867

Reduced:

SN2O8C32H60 (1)

Stoich.:

AB2C8D32E60 (1)

Weight, g/mol:

749.394105

ΔHf, kcal/mol:

-387.64

Dipole, Da:

5.15

IP(EA), eV:

 -9.68(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[1-[[1-[[1-(butylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(COCCOCCOCCCS(=O)(=O)O)OC1=NC=CC=N1

DOS

IR

Vibrations