Geometry & MOs

Info

ID:	404348
PubChem CID:	135065921
Reduced:	ClNOF3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	390.241494
ΔH_f, kcal/mol:	-207.52
Dipole, Da:	5.3
IP(EA), eV:	-9.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-4-tert-butylsulfanyl-4-hexylsulfanylbut-3-en-1-ynyl]adamantane

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)Cl)C(F)(F)F

DOS

IR

Vibrations