Geometry & MOs

Info

ID:	223716
PubChem CID:	85335470
Reduced:	Cl2O2N6C25H32 (1)
Stoich.:	A2B2C6D25E32 (1)
Weight, g/mol:	512.148947
ΔH_f, kcal/mol:	-47.42
Dipole, Da:	7.69
IP(EA), eV:	-8.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(carbamoylamino)-(hydroxyamino)methylidene]amino]-2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-N-hydroxyhexanamide

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)C(=O)NC2C3CC(CCC3NN2)NC(=O)C(CCN)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations