Geometry & MOs

Info

ID:	223872
PubChem CID:	85335684
Reduced:	NO10C33H53 (1)
Stoich.:	AB10C33D53 (1)
Weight, g/mol:	624.083215
ΔH_f, kcal/mol:	-349.89
Dipole, Da:	4.72
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)C)COC=C

DOS

IR

Vibrations