Geometry & MOs

Info

ID:

340037

PubChem CID:

127262046

Reduced:

N3O6C22H31 (1)

Stoich.:

A3B6C22D31 (1)

Weight, g/mol:

687.360514

ΔHf, kcal/mol:

-267.98

Dipole, Da:

4.54

IP(EA), eV:

 -9.2(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-naphthalen-2-ylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC1)N([C@@H](C)C(=O)N)C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C

DOS

IR

Vibrations