Geometry & MOs

Info

ID:

327035

PubChem CID:

126688900

Reduced:

S3N7O14C45H59 (1)

Stoich.:

A3B7C14D45E59 (1)

Weight, g/mol:

582.194856

ΔHf, kcal/mol:

-548.2

Dipole, Da:

6.75

IP(EA), eV:

 -8.29(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate

Drug info:

PubChemData

Smile

CCN[C@H]1C=C(SC2=C1C[C@@H](S2(=O)=O)C)S(=O)(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)CCC(=O)NC3=CC\4=C(C=C3)NC(=O)/C4=C\C5=C(C(=C(N5)C)C(=O)NCCN(CC)CC)C

DOS

IR

Vibrations