Geometry & MOs

Info

ID:	327069
PubChem CID:	126688955
Reduced:	N3S3O7C15H25 (1)
Stoich.:	A3B3C7D15E25 (1)
Weight, g/mol:	510.173726
ΔH_f, kcal/mol:	-267.59
Dipole, Da:	5.28
IP(EA), eV:	-9.18(-1.63)
Spin(S_z, 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-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)NC(=O)[C@H](C)O)CCCOC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)NC(=O)[C@H](C)O)CCCOC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):