Geometry & MOs

Info

ID:	134119
PubChem CID:	51646604
Reduced:	SO3N5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	355.015545
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	6.19
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3-chloro-2-methylphenyl)-(4-methoxy-2-nitrophenyl)sulfonylazanide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)N2CCC3(CC2)C4=C(CCN3)NC=N4

DOS

IR

Vibrations