Geometry & MOs

Info

ID:	131710
PubChem CID:	51248808
Reduced:	ClSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	307.051444
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	4.36
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-nitrophenyl) 3-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations