Geometry & MOs

Info

ID:	222081
PubChem CID:	85293839
Reduced:	SO10C26H32 (1)
Stoich.:	AB10C26D32 (1)
Weight, g/mol:	536.172956
ΔH_f, kcal/mol:	-387.96
Dipole, Da:	3.55
IP(EA), eV:	-9.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(benzhydrylideneamino)-(4-methylphenyl)sulfonylamino]-3-(2-methoxycarbonylhydrazinyl)but-2-enoate

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O2)OC3C(OC(C(C3O)O)SCC4=CC=CC=C4)CO)O)O)OC(O1)C5=CC=CC=C5

DOS

IR

Vibrations