Geometry & MOs

Info

ID:	151346
PubChem CID:	53801103
Reduced:	N2S3C10H20 (1)
Stoich.:	A2B3C10D20 (1)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	25.96
Dipole, Da:	2.39
IP(EA), eV:	-8.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(5-cyclopropylpentyl) but-2-ynedioate

Drug info:

PubChemData

Smile

CCCCCCCCC1C(=S)SN(N1)S

DOS

IR

Vibrations