Geometry & MOs

Info

ID:	339624
PubChem CID:	127261614
Reduced:	OS2N4C6H12 (1)
Stoich.:	AB2C4D6E12 (1)
Weight, g/mol:	282.122441
ΔH_f, kcal/mol:	12.86
Dipole, Da:	6.82
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hexylphenyl)methyl N-aminocarbamodithioate

Drug info:

PubChemData

Smile

C1COCCN1/C(=N/NC(=S)S)/N

DOS

IR

Vibrations