Geometry & MOs

Info

ID:

429426

PubChem CID:

135169475

Reduced:

O4N7C33H45 (1)

Stoich.:

A4B7C33D45 (1)

Weight, g/mol:

606.327816

ΔHf, kcal/mol:

-117.02

Dipole, Da:

7.41

IP(EA), eV:

 -8.91(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-[[(4S)-1-(diaminomethylideneamino)-6-(2-methylphenyl)imino-5-oxoheptan-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CC/C=C/[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(=NC2=CC=CC=C2C)C

DOS

IR

Vibrations