Geometry & MOs

Info

ID:	340248
PubChem CID:	127262259
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	245.181336
ΔH_f, kcal/mol:	-104.93
Dipole, Da:	2.8
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-pentan-2-yl N-heptylcarbamothioate

Drug info:

PubChemData

Smile

CN(C=O)C(=O)SCCCCOC1=CC=CC=C1

DOS

IR

Vibrations