Geometry & MOs

Info

ID:	149629
PubChem CID:	53789303
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	636.021005
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	2.95
IP(EA), eV:	-9.14(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[[2,4-bis(methylsulfonyl)phenyl]hydrazinylidene]-1-oxonaphthalene-2-carbonyl]hydrazinyl]benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC12[C@@H](CC3C1C(OC(C3=C)O2)OC)NCCC4=CC=CC=C4Cl

DOS

IR

Vibrations