Geometry & MOs

Info

ID:	449729
PubChem CID:	135301006
Reduced:	SN2F3O4C16H23 (1)
Stoich.:	AB2C3D4E16F23 (1)
Weight, g/mol:	256.101878
ΔH_f, kcal/mol:	-357.71
Dipole, Da:	5.31
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC(C(C)(C(F)(F)F)O)O)C

DOS

IR

Vibrations