Geometry & MOs

Info

ID:	224961
PubChem CID:	85735152
Reduced:	FO3N5C20H40 (1)
Stoich.:	AB3C5D20E40 (1)
Weight, g/mol:	325.053942
ΔH_f, kcal/mol:	-241.38
Dipole, Da:	3.46
IP(EA), eV:	-9.41(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-tert-butylperoxy-4-chlorophenyl)furan-2-carbothioamide

Drug info:

PubChemData

Smile

C(CCCCCN)CCCCC(=O)NC(CF)C(=O)NC(CCCCN)C(=O)N

DOS

IR

Vibrations