Geometry & MOs

Info

ID:

436393

PubChem CID:

135199752

Reduced:

Cl2N5O11C59H63 (1)

Stoich.:

A2B5C11D59E63 (1)

Weight, g/mol:

525.233582

ΔHf, kcal/mol:

-366.75

Dipole, Da:

3.86

IP(EA), eV:

 -8.55(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-6-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-5-[(3-methylimidazole-4-carbonyl)amino]-2,6-dioxohexanoyl cyanide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N(CC)C(=O)CN2C3=CC=CC=C3C=C2C(=O)NC4CCC(CC4)C(=O)NCCCCCCCCNC(=O)C5=CC6=C(C=C5)C7(C8=CC(=C(C(=C8OC9=C(C(=C(C=C97)OC)O)Cl)Cl)O)OC)OC6=O

DOS

IR

Vibrations