Geometry & MOs

Info

ID:

327047

PubChem CID:

126688917

Reduced:

S3N7O16C49H67 (1)

Stoich.:

A3B7C16D49E67 (1)

Weight, g/mol:

950.487516

ΔHf, kcal/mol:

-642.69

Dipole, Da:

12.01

IP(EA), eV:

 -8.31(-1.59)

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-[(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]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] octadecanoate

Drug info:

PubChemData

Smile

CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)NC(=O)[C@H](C)OC(=O)C(C)OC(=O)[C@H](C)OC(=O)CCCCC(=O)OC3=CC\4=C(C=C3)NC(=O)/C4=C\C5=C(C(=C(N5)C)C(=O)NCCN(CC)CC)C)CCCOC

DOS

IR

Vibrations