Geometry & MOs

Info

ID:

222967

PubChem CID:

85333564

Reduced:

SN7O9C35H53 (1)

Stoich.:

AB7C9D35E53 (1)

Weight, g/mol:

750.389354

ΔHf, kcal/mol:

-417.14

Dipole, Da:

5.22

IP(EA), eV:

 -8.56(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[[1-[[1-(3-aminopropylamino)-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

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CCCN3C(=O)C(CCSC)NC(=O)C(C(C)O)NC(=O)C(C(C)O)N

DOS

IR

Vibrations