Geometry & MOs

Info

ID:	389516
PubChem CID:	134993448
Reduced:	FPN2S2O7C31H32 (1)
Stoich.:	ABC2D2E7F31G32 (1)
Weight, g/mol:	240.097272
ΔH_f, kcal/mol:	-350.81
Dipole, Da:	4.54
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylsulfanyl-1-phenyl-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(F)S)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

DOS

IR

Vibrations