Geometry & MOs

Info

ID:	391983
PubChem CID:	135011623
Reduced:	ISN2O2C29H33 (1)
Stoich.:	ABC2D2E29F33 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	3.06
IP(EA), eV:	-9.38(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=NC(=O)C(C)(C)C)(=O)N2CC(CC2CI)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations