Geometry & MOs

Info

ID:	148513
PubChem CID:	53788176
Reduced:	N3O6C22H37 (1)
Stoich.:	A3B6C22D37 (1)
Weight, g/mol:	362.158552
ΔH_f, kcal/mol:	-300.51
Dipole, Da:	8.88
IP(EA), eV:	-9.22(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2S)-2-(3,3-dimethylpentyl)-3-hydroxy-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1(CC(N(C1)C(=O)CCN(C)CCC(=O)N2CC(CC2C(=O)OC)(C)C)C(=O)O)C

DOS

IR

Vibrations