Geometry & MOs

Info

ID:

144674

PubChem CID:

53396007

Reduced:

S2N13O14C47H67 (1)

Stoich.:

A2B13C14D47E67 (1)

Weight, g/mol:

654.265125

ΔHf, kcal/mol:

-622.46

Dipole, Da:

13.94

IP(EA), eV:

 -9.23(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CC(=O)O.C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN)C(=O)NCC(=O)N

DOS

IR

Vibrations