Geometry & MOs

Info

ID:

312059

PubChem CID:

126602173

Reduced:

SN7O8C41H55 (1)

Stoich.:

AB7C8D41E55 (1)

Weight, g/mol:

520.234219

ΔHf, kcal/mol:

-320.47

Dipole, Da:

5.93

IP(EA), eV:

 -8.43(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-[2-[3-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[C@H](C)NC(=O)O)O

DOS

IR

Vibrations