Geometry & MOs

Info

ID:	53098
PubChem CID:	14709569
Reduced:	IC27H47 (1)
Stoich.:	AB27C47 (1)
Weight, g/mol:	206.043522
ΔH_f, kcal/mol:	-77.04
Dipole, Da:	2.4
IP(EA), eV:	-9.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-5-methylsulfanyl-5-sulfanylidenepentanoate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@]1(CC[C@@H]2[C@H]1CC[C@H]3[C@@H]2CCC4[C@@]3(CC[C@H](C4)I)C)C

DOS

IR

Vibrations