Geometry & MOs

Info

ID:	174309
PubChem CID:	75748799
Reduced:	SN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	485.113095
ΔH_f, kcal/mol:	-73.58
Dipole, Da:	3.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.829293
Charge, e:	-1

Chem-info

IUPAC name:

[2-[2-[(3,5-dimethoxyphenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonyl-(2-methoxyphenyl)azanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+]2CC(=O)N(C3C2CS(=O)(=O)C3)C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations