Geometry & MOs

Info

ID:	208891
PubChem CID:	80600504
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	274.117356
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	3.97
IP(EA), eV:	-8.61(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbamothioyl-N-(thian-2-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

C1CCSC(C1)CNCCC(=O)NC2CC2

DOS

IR

Vibrations