Geometry & MOs

Info

ID:

224114

PubChem CID:

85338349

Reduced:

SNa2O6N7H25C28 (1)

Stoich.:

AB2C6D7E25F28 (1)

Weight, g/mol:

633.331505

ΔHf, kcal/mol:

-166.25

Dipole, Da:

68.44

IP(EA), eV:

 -6.73(-2.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-4-phenylbutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NNC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=CC(=C(C=C4N)N)S(=O)(=O)[O-])C)C)C(=C(C1=O)C(=O)[O-])N.[Na+].[Na+]

DOS

IR

Vibrations