Geometry & MOs

Info

ID:

59857

PubChem CID:

24900040

Reduced:

BrSCl2N3O4C32H32 (1)

Stoich.:

ABC2D3E4F32G32 (1)

Weight, g/mol:

619.296576

ΔHf, kcal/mol:

-101.67

Dipole, Da:

8.5

IP(EA), eV:

 -8.98(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1CNCCC1CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4OC5=C(C=C(C=C5)Br)Cl.Cl

DOS

IR

Vibrations