Geometry & MOs

Info

ID:	229933
PubChem CID:	87569578
Reduced:	S3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	426.37091
ΔH_f, kcal/mol:	66.4
Dipole, Da:	7.43
IP(EA), eV:	-8.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-butyloctyl) oxalate

Drug info:

PubChemData

Smile

CC(CCN)N1CCC(CC1)N(CC2=CSC=C2)C(=S)CSC3=CC=NC=C3

DOS

IR

Vibrations