Geometry & MOs

Info

ID:

340099

PubChem CID:

127262108

Reduced:

N7O7C36H67 (1)

Stoich.:

A7B7C36D67 (1)

Weight, g/mol:

729.407464

ΔHf, kcal/mol:

-429.52

Dipole, Da:

4.66

IP(EA), eV:

 -9.68(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-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

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C

DOS

IR

Vibrations