Geometry & MOs

Info

ID:	12062
PubChem CID:	128413
Reduced:	ClOSN4H11C15 (1)
Stoich.:	ABCD4E11F15 (1)
Weight, g/mol:	330.03421
ΔH_f, kcal/mol:	76.99
Dipole, Da:	6.36
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-chloro-4-methyl-8-phenyl-8lambda6-thia-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene 8-oxide

Drug info:

PubChemData

Smile

CC1=NN2C3=C(C=C(C=C3)Cl)S(=NC2=N1)(=O)C4=CC=CC=C4

DOS

IR

Vibrations