Geometry & MOs

Info

ID:

215071

PubChem CID:

85084101

Reduced:

N8O9C32H48 (1)

Stoich.:

A8B9C32D48 (1)

Weight, g/mol:

688.369681

ΔHf, kcal/mol:

-397.54

Dipole, Da:

4.42

IP(EA), eV:

 -9.42(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-(7-aminoheptanoylamino)-3-oxopropyl] benzoate

Drug info:

PubChemData

Smile

CCC1C(=O)N(C(C(=O)NCC(=O)NC(C(=O)NCC2=CC(=CC=C2)C(=O)N1)CC(=O)OC(C)OC(=O)C(C)(C)C)CCCN=C(N)N)C

DOS

IR

Vibrations