Geometry & MOs

Info

ID:

141838

PubChem CID:

52936231

Reduced:

NaS2F3N4O6H16C24 (1)

Stoich.:

AB2C3D4E6F16G24 (1)

Weight, g/mol:

738.375435

ΔHf, kcal/mol:

-355.04

Dipole, Da:

6.12

IP(EA), eV:

 -8.69(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(benzylamino)-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-3-[4-(diaminomethylideneamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)NC(=NS2(=O)=O)C3=C(N4C=C(C=C(C4=CC3=O)CC5=CC(=C(C=C5)F)F)F)[O-].[Na+]

DOS

IR

Vibrations