Geometry & MOs

Info

ID:	389357
PubChem CID:	134992483
Reduced:	SN3O3C39H53 (1)
Stoich.:	AB3C3D39E53 (1)
Weight, g/mol:	694.258061
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	9.14
IP(EA), eV:	-8.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N[C@@H](CC2=CN=CN2C)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(C)C

DOS

IR

Vibrations