Geometry & MOs

Info

ID:

429428

PubChem CID:

135169477

Reduced:

ClSO2N4C19H21 (1)

Stoich.:

ABC2D4E19F21 (1)

Weight, g/mol:

488.285952

ΔHf, kcal/mol:

-34.06

Dipole, Da:

2.09

IP(EA), eV:

 -8.36(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-[[(4S)-1-(diaminomethylideneamino)-6-(2-methylphenyl)imino-5-oxoheptan-4-yl]amino]-1-oxopropan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)NC2=NC3=C(S2)C=C(C=C3)OCC4=C(C(=NC=C4)N)Cl)O

DOS

IR

Vibrations