Geometry & MOs

Info

ID:

11569

PubChem CID:

117764

Reduced:

ClSN7O10C29H32 (1)

Stoich.:

ABC7D10E29F32 (1)

Weight, g/mol:

705.161989

ΔHf, kcal/mol:

-199.7

Dipole, Da:

13.91

IP(EA), eV:

 -8.72(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[N-(2-acetyloxyethyl)-4-[[4-[(2-chloro-4-nitrophenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-3-(methanesulfonamido)anilino]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=CC(=C(C=C2OC)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC)NS(=O)(=O)C

DOS

IR

Vibrations