Geometry & MOs

Info

ID:

327307

PubChem CID:

126689480

Reduced:

S2N5O12C24H33 (1)

Stoich.:

A2B5C12D24E33 (1)

Weight, g/mol:

418.148381

ΔHf, kcal/mol:

-430.06

Dipole, Da:

9.0

IP(EA), eV:

 -9.44(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[2-but-3-ynyl-5-[(3-methoxy-3-oxopropyl)sulfanylmethyl]-2-methyl-1,3-dioxan-5-yl]methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(CS(=O)CCC(=O)O)CS(=O)CC(C(=O)O)(N2C(=O)CCC2=O)N3C(=O)CCC3=O)CCCN=[N+]=[N-]

DOS

IR

Vibrations