Geometry & MOs

Info

ID:	159341
PubChem CID:	57269613
Reduced:	NO6H11C16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	203.134385
ΔH_f, kcal/mol:	-179.6
Dipole, Da:	5.42
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-hexyl N-propylcarbamothioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(=O)N)O

DOS

IR

Vibrations