Geometry & MOs

Info

ID:	151175
PubChem CID:	53790875
Reduced:	ClNC14H18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	223.048942
ΔH_f, kcal/mol:	4.58
Dipole, Da:	4.72
IP(EA), eV:	-8.44(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-ylsulfanyl-4-isothiocyanatobenzene

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)Cl)N2CCCCC2

DOS

IR

Vibrations