Geometry & MOs

Info

ID:	402142
PubChem CID:	135054596
Reduced:	ClNSO5H22C27 (1)
Stoich.:	ABCD5E22F27 (1)
Weight, g/mol:	1108.56068
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	7.59
IP(EA), eV:	-9.0(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=C(C=C2)Cl)C(=C)C(=O)OC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations