Geometry & MOs

Info

ID:	396052
PubChem CID:	135027297
Reduced:	ClSN3O5C25H30 (1)
Stoich.:	ABC3D5E25F30 (1)
Weight, g/mol:	326.13068
ΔH_f, kcal/mol:	-195.39
Dipole, Da:	3.25
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-phenyl-3H-inden-1-yl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C1(C2=C(C=CC(=C2)Cl)NC1=O)SCC3=CC=CC=C3

DOS

IR

Vibrations