Geometry & MOs

Info

ID:	230000
PubChem CID:	87569850
Reduced:	AsClON5H13C19 (1)
Stoich.:	ABCD5E13F19 (1)
Weight, g/mol:	146.076536
ΔH_f, kcal/mol:	156.3
Dipole, Da:	3.53
IP(EA), eV:	-7.96(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(4-methylpentyl) methanethioate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC(=C1)C2=CC3=NC(=C(N3N=C2)C4=CC(=NC=C4)Cl)[As]

DOS

IR

Vibrations