Geometry & MOs

Info

ID:

429425

PubChem CID:

135169474

Reduced:

ClSO3N4C20H23 (1)

Stoich.:

ABC3D4E20F23 (1)

Weight, g/mol:

603.353303

ΔHf, kcal/mol:

-58.02

Dipole, Da:

3.84

IP(EA), eV:

 -8.15(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(E)-but-1-enyl]-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

CC1=C2C(=C(C=C1OCC3=NC(=NC=C3)Cl)OC)N=C(S2)NC4CCCC[C@@H]4O

DOS

IR

Vibrations