Geometry & MOs

Info

ID:	150126
PubChem CID:	53789812
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	233.011511
ΔH_f, kcal/mol:	-123.91
Dipole, Da:	5.87
IP(EA), eV:	-9.39(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-imidazol-2-ylmethylsulfanyl)ethyl carbamodithioate

Drug info:

PubChemData

Smile

CCCCCCCCNCCNCC(=O)O

DOS

IR

Vibrations