Geometry & MOs

Info

ID:	208892
PubChem CID:	80600505
Reduced:	ON2S2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	302.11227
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	3.99
IP(EA), eV:	-8.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-carbamothioyl-N-(thian-2-ylmethyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=S)N)C(=O)NCC1CCCCS1

DOS

IR

Vibrations