Geometry & MOs

Info

ID:	434964
PubChem CID:	135176075
Reduced:	ClF2S2N3O6C38H42 (1)
Stoich.:	AB2C2D3E6F38G42 (1)
Weight, g/mol:	346.149971
ΔH_f, kcal/mol:	-312.68
Dipole, Da:	7.57
IP(EA), eV:	-9.14(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[1-(4-cyclopropyl-3-propan-2-ylphenyl)propan-2-yl]-2-fluorophenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)C3=CC=C(S3)Cl)(F)F)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations