Geometry & MOs

Info

ID:	388135
PubChem CID:	134988293
Reduced:	IO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	255.038771
ΔH_f, kcal/mol:	-154.48
Dipole, Da:	6.52
IP(EA), eV:	-10.06(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) dimethylcarbamothioylsulfanylformate

Drug info:

PubChemData

Smile

CCC[C@]1(CCCC[C@@]1(C(=O)O)I)O

DOS

IR

Vibrations