Geometry & MOs

Info

ID:

223807

PubChem CID:

85335600

Reduced:

SO6N7C26H35 (1)

Stoich.:

AB6C7D26E35 (1)

Weight, g/mol:

574.0733

ΔHf, kcal/mol:

-106.11

Dipole, Da:

3.9

IP(EA), eV:

 -9.02(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(acetylsulfanylmethyl)-4-[2-[[2-[3-[(2-bromoacetyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]ethyl]anilino]-2-oxoacetic acid

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=NCCCCC(C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)NC#N

DOS

IR

Vibrations