Geometry & MOs

Info

ID:	144862
PubChem CID:	53425610
Reduced:	N2O2S2C30H35 (1)
Stoich.:	A2B2C2D30E35 (1)
Weight, g/mol:	309.909989
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	4.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.829458
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-4-(2,4-dichlorophenyl)-2-fluorobenzene

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)OC)SC1=CC3=CC(=CC4=[N+](C5=C(S4)C=CC(=C5)OC)CC)CC(C3)(C)C

DOS

IR

Vibrations