Geometry & MOs

Info

ID:

312063

PubChem CID:

126602177

Reduced:

SN7O8C41H55 (1)

Stoich.:

AB7C8D41E55 (1)

Weight, g/mol:

379.257003

ΔHf, kcal/mol:

-317.18

Dipole, Da:

7.77

IP(EA), eV:

 -8.71(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]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(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